Home > Compound List > Compound details
31450-14-3 molecular structure
click picture or here to close

ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

ChemBase ID: 131132
Molecular Formular: C20H34O2
Molecular Mass: 306.48276
Monoisotopic Mass: 306.25588033
SMILES and InChIs

SMILES:
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCC
Canonical SMILES:
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCC
InChI:
InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12,14-15H,3-7,10,13,16-19H2,1-2H3/b9-8-,12-11-,15-14-
InChIKey:
MJLYTDAIYLGSRZ-ORZIMQNZSA-N

Cite this record

CBID:131132 http://www.chembase.cn/molecule-131132.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
IUPAC Traditional name
ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Synonyms
γ-Linolenic acid ethyl ester
6,9,12-Octadecatrienoic acid ethyl ester
Ethyl γ-linolenate
CAS Number
31450-14-3
MDL Number
MFCD00056309
PubChem SID
162225410
24896435
PubChem CID
9883013

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
L6378 external link Add to cart Please log in.
Data Source Data ID
PubChem 9883013 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.5626574  LogD (pH = 7.4) 6.5626574 
Log P 6.5626574  Molar Refractivity 99.1531 cm3
Polarizability 37.64706 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 15  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
liquid expand Show data source
German water hazard class
3 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 - L6378 external link
包装
Sealed ampule.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle