CAS 301-00-8|亚麻酸甲酯|methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate|顺-9,12,15-十八碳三烯酸甲酯|methyl linolenate|(Z,Z,Z)-9,12,15-十八烷三烯酸甲酯|Methyl linolenate|methyl (9Z,12Z,15Z)-9,12,15-oc...

General Information

Structure

Molecular Formula

C₁₉H₃₂O₂

Molecular Mass

292.45618

Exact Mass

292.24023026

Charge

InChI

InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-

InChIKey

DVWSXZIHSUZZKJ-YSTUJMKBSA-N

Canonic Smiles

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC

Isomeric Smiles

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC

Calculated Properties

JChem

LogD (pH = 7.4)

6.21

LogD (pH = 5.5)

6.21

Log P

6.21

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

-7.02

Polar Surface Area

26.30

Polarizability

36.43

Molar Refractivity

94.40

LOG S

-7.35

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

亚麻酸甲酯顺-9,12,15-十八碳三烯酸甲酯(Z,Z,Z)-9,12,15-十八烷三烯酸甲酯Methyl linolenatemethyl (9Z,12Z,15Z)-9,12,15-octadecatrienoateMethyl cis,cis,cis-octadec-9,12,15-trienoatecis,cis,cis-9,12,15-Octadecatrienoic acid, methyl esterMethyl alpha-linolenatemethyl (9Z,12Z,15Z)-octadecatrienoatemethyl alpha-linolenatemethyl linolenate[Z,Z,Z]-9,12,15-Octadecadienoic acid methyl esteralpha-Linolenic acid methyl esterMethyl all-cis-9,12,15-octadecatrienoateLinolenic acid, methyl esteralpha-linolenic acid methyl ester

IUPAC name

methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

IUPAC Traditional name

methyl linolenate

Names and Identifiers

Registration numbers

CAS Number

301-00-8

PubChem SID

2489631916222813485333426

MDL Number

MFCD00135851