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(1Z,4Z,8E)-cyclododeca-1,4,8-triene
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ChemBase ID:
134477
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Molecular Formular:
C12H18
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Molecular Mass:
162.27132
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Monoisotopic Mass:
162.14085058
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SMILES and InChIs
SMILES:
C1CC=CCC=CCCCC=C1
Canonical SMILES:
C1=CCCC=CCC=CCCC1
InChI:
InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,5,7-8,10H,3-4,6,9,11-12H2/b2-1-,7-5-,10-8+
InChIKey:
STFWPHPXWOGRGD-QJCSMBTFSA-N
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Cite this record
CBID:134477 http://www.chembase.cn/molecule-134477.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1Z,4Z,8E)-cyclododeca-1,4,8-triene
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IUPAC Traditional name
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(1Z,4Z,8E)-cyclododeca-1,4,8-triene
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Synonyms
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trans,cis,cis-1,5,9-Cyclododecatriene
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trans,trans,trans-1,5,9-Cyclododecatriene
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反,顺,顺-1,5,9-环十二烷基三烯
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反,反,反-1,5,9-环十二烷基三烯
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CAS Number
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EC Number
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MDL Number
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MFCD00003720
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MFCD00066414
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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4.249059
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LogD (pH = 7.4)
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4.249059
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Log P
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4.249059
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Molar Refractivity
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58.5618 cm3
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Polarizability
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21.479834 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent