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MFCD00060925 molecular structure
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2-methyldodec-1-ene

ChemBase ID: 73737
Molecular Formular: C13H26
Molecular Mass: 182.34554
Monoisotopic Mass: 182.20345083
SMILES and InChIs

SMILES:
C=C(CCCCCCCCCC)C
Canonical SMILES:
CCCCCCCCCCC(=C)C
InChI:
InChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h2,4-12H2,1,3H3
InChIKey:
PWRBDKMPAZFCSV-UHFFFAOYSA-N

Cite this record

CBID:73737 http://www.chembase.cn/molecule-73737.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyldodec-1-ene
IUPAC Traditional name
2-methyldodec-1-ene
Synonyms
2-Methyldodec-1-ene
MDL Number
MFCD00060925
PubChem SID
162038656
PubChem CID
519267

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01856 external link Add to cart Please log in.
Data Source Data ID
PubChem 519267 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.737923  LogD (pH = 7.4) 5.737923 
Log P 5.737923  Molar Refractivity 61.3403 cm3
Polarizability 24.529404 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

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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