(6Z,9Z,12Z)-octadeca-6,9,12-trienamide

C18H31NO — CID 10221263

IUPAC(6Z,9Z,12Z)-octadeca-6,9,12-trienamide
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(N)=O
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H2,19,20)/b7-6-,10-9-,13-12-
InChIKeyMCOSVAOSRSFRHL-QNEBEIHSSA-N
MW277.45 g/mol
LogP5.06
Rot. Bonds13

About (6Z,9Z,12Z)-octadeca-6,9,12-trienamide

(6Z,9Z,12Z)-octadeca-6,9,12-trienamide (PubChem CID 10221263) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (6Z,9Z,12Z)-octadeca-6,9,12-trienamide.

Molecular Properties

Compound Name(6Z,9Z,12Z)-octadeca-6,9,12-trienamide
PubChem CID10221263
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(6Z,9Z,12Z)-octadeca-6,9,12-trienamide
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(N)=O
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H2,19,20)/b7-6-,10-9-,13-12-
InChIKeyMCOSVAOSRSFRHL-QNEBEIHSSA-N
XLogP5.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Oleamide
CID 5283387
Erucamide
CID 5365371
Linoleamide
CID 6435901
Arachidonoyl amine
CID 5283393
Elaidamide
CID 5353370
(9Z,12Z,15Z)-9,12,15-Octadecatrienamide
CID 9882094
Palmitoleamide
CID 56936054
N-hydroxy arachidonoyl amine
CID 5283414
11-Eicosenamide, (11Z)-
CID 5365374
9-Octadecenamide
CID 1930
(E)-13-Docosenamide
CID 5365369
Nervonamide
CID 11963502

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z,12Z)-octadeca-6,9,12-trienamide?
The IUPAC name of (6Z,9Z,12Z)-octadeca-6,9,12-trienamide (CID 10221263) is (6Z,9Z,12Z)-octadeca-6,9,12-trienamide.
What is the SMILES notation for (6Z,9Z,12Z)-octadeca-6,9,12-trienamide?
The canonical SMILES for (6Z,9Z,12Z)-octadeca-6,9,12-trienamide is CCCCC/C=C\C/C=C\C/C=C\CCCCC(N)=O.
What is the InChIKey of (6Z,9Z,12Z)-octadeca-6,9,12-trienamide?
The InChIKey is MCOSVAOSRSFRHL-QNEBEIHSSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H2,19,20)/b7-6-,10-9-,13-12-.
What are the key properties of (6Z,9Z,12Z)-octadeca-6,9,12-trienamide?
(6Z,9Z,12Z)-octadeca-6,9,12-trienamide has a molecular weight of 277.45 g/mol, XLogP of 5.06, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,12Z)-octadeca-6,9,12-trienamide is sourced from PubChem (CID 10221263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).