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MFCD00049133 molecular structure
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2-methyldec-1-ene

ChemBase ID: 73734
Molecular Formular: C11H22
Molecular Mass: 154.29238
Monoisotopic Mass: 154.1721507
SMILES and InChIs

SMILES:
C=C(CCCCCCCC)C
Canonical SMILES:
CCCCCCCCC(=C)C
InChI:
InChI=1S/C11H22/c1-4-5-6-7-8-9-10-11(2)3/h2,4-10H2,1,3H3
InChIKey:
HLMACKQLXSEXIY-UHFFFAOYSA-N

Cite this record

CBID:73734 http://www.chembase.cn/molecule-73734.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyldec-1-ene
IUPAC Traditional name
2-methyldec-1-ene
Synonyms
2-Methyldec-1-ene
MDL Number
MFCD00049133
PubChem SID
162038653
PubChem CID
518718

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 518718 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.848786  LogD (pH = 7.4) 4.848786 
Log P 4.848786  Molar Refractivity 52.1383 cm3
Polarizability 20.835823 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Flammable expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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