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506-44-5 molecular structure
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(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol

ChemBase ID: 131406
Molecular Formular: C18H32O
Molecular Mass: 264.44608
Monoisotopic Mass: 264.24531564
SMILES and InChIs

SMILES:
CC/C=C\C/C=C\C/C=C\CCCCCCCCO
Canonical SMILES:
OCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI:
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
InChIKey:
IKYKEVDKGZYRMQ-PDBXOOCHSA-N

Cite this record

CBID:131406 http://www.chembase.cn/molecule-131406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol
IUPAC Traditional name
(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol
Synonyms
9,12,15-Octadecatrienol
Linolenyl alcohol
CAS Number
506-44-5
EC Number
208-039-7
PubChem SID
162225684
PubChem CID
6436081

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
L2751 external link Add to cart Please log in.
Data Source Data ID
PubChem 6436081 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 5.943518 
LogD (pH = 7.4) 5.943518  Log P 5.943518 
Molar Refractivity 89.8987 cm3 Polarizability 33.857708 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 13 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
liquid expand Show data source
German water hazard class
nwg expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - L2751 external link
包装
Sealed ampule.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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