methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate

C19H32O2 — CID 102177602

IUPACmethyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate
SMILESCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC
InChIInChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h5-6,8-9,11-12H,3-4,7,10,13-18H2,1-2H3/b6-5-,9-8-,12-11-
InChIKeyIDYSCTXABMOMMW-AGRJPVHOSA-N
MW292.46 g/mol
LogP5.75
Rot. Bonds13

About methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate

methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate (PubChem CID 102177602) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate.

Molecular Properties

Compound Namemethyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate
PubChem CID102177602
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Namemethyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate
SMILESCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC
InChIInChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h5-6,8-9,11-12H,3-4,7,10,13-18H2,1-2H3/b6-5-,9-8-,12-11-
InChIKeyIDYSCTXABMOMMW-AGRJPVHOSA-N
XLogP5.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl hexadeca-9,12-dienoate
CID 549033
methyl (Z)-hexadec-12-enoate
CID 10978485
methyl octadeca-6,9-dienoate
CID 549027
methyl icosa-8,11,14-trienoate
CID 519411
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673
methyl (13Z,16E)-docosa-13,16-dienoate
CID 53249651
methyl (7Z,11Z,14Z)-icosa-7,11,14-trienoate
CID 91694374
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate;hydrochloride
CID 162316575
methyl (9E,12E)-octadeca-9,12-dienoate;methyl (9E,12E,15E)-octadeca-9,12,15-trienoate;methyl (E)-octadec-9-enoate
CID 159619579
methyl dodeca-6,9-dienoate
CID 123311078

Frequently Asked Questions

What is the IUPAC name of methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate?
The IUPAC name of methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate (CID 102177602) is methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate.
What is the SMILES notation for methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate?
The canonical SMILES for methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate is CCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC.
What is the InChIKey of methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate?
The InChIKey is IDYSCTXABMOMMW-AGRJPVHOSA-N. The full InChI is InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h5-6,8-9,11-12H,3-4,7,10,13-18H2,1-2H3/b6-5-,9-8-,12-11-.
What are the key properties of methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate?
methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate has a molecular weight of 292.46 g/mol, XLogP of 5.75, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate is sourced from PubChem (CID 102177602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).