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56683-54-6 molecular structure
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(11Z)-hexadec-11-en-1-ol

ChemBase ID: 53051
Molecular Formular: C16H32O
Molecular Mass: 240.42468
Monoisotopic Mass: 240.24531564
SMILES and InChIs

SMILES:
C(CCCCCCCCC/C=C\CCCC)O
Canonical SMILES:
CCCC/C=C\CCCCCCCCCCO
InChI:
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5-
InChIKey:
RHVMNRHQWXIJIS-WAYWQWQTSA-N

Cite this record

CBID:53051 http://www.chembase.cn/molecule-53051.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(11Z)-hexadec-11-en-1-ol
IUPAC Traditional name
11-hexadecen-1-ol (Z)
Synonyms
(Z)-11-Hexadecenol
(Z)-hexadec-11-en-1-ol
(11Z)-11-十六碳烯-1-醇
CAS Number
56683-54-6
MDL Number
MFCD00010504
PubChem SID
162057814
PubChem CID
5283305

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5283305 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 5.7782245 
LogD (pH = 7.4) 5.7782245  Log P 5.7782245 
Molar Refractivity 78.4635 cm3 Polarizability 30.628027 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 13 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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