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(1R,4aR,7R,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol
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ChemBase ID:
303963
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Molecular Formular:
C15H26O2
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Molecular Mass:
238.36574
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Monoisotopic Mass:
238.19328007
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SMILES and InChIs
SMILES:
C1C[C@]([C@H]2[C@](C1)(CC[C@H](C2)C(=C)CO)C)(O)C
Canonical SMILES:
OCC(=C)[C@@H]1CC[C@@]2([C@@H](C1)[C@](C)(O)CCC2)C
InChI:
InChI=1S/C15H26O2/c1-11(10-16)12-5-8-14(2)6-4-7-15(3,17)13(14)9-12/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13-,14-,15-/m1/s1
InChIKey:
RMARCXQAHOJNRB-KBUPBQIOSA-N
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Cite this record
CBID:303963 http://www.chembase.cn/molecule-303963.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R,4aR,7R,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol
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IUPAC Traditional name
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(1R,4aR,7R,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,4a-dimethyl-octahydronaphthalen-1-ol
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Synonyms
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11(13)-Eudesmene-4,12-diol
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Ilicol
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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16.884459
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H Acceptors
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2
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H Donor
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2
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LogD (pH = 5.5)
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2.32891
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LogD (pH = 7.4)
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2.3289106
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Log P
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2.3289106
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Molar Refractivity
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70.0592 cm3
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Polarizability
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27.89809 Å3
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Polar Surface Area
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40.46 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Bioassay(PubChem)
Apperance
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Cryst.
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent