(6Z,9Z)-16-methylheptadeca-6,9-dienoic acid

C18H32O2 — CID 5312303

IUPAC(6Z,9Z)-16-methylheptadeca-6,9-dienoic acid
SMILESCC(C)CCCCC/C=C\C/C=C\CCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5-6,8,17H,4,7,9-16H2,1-2H3,(H,19,20)/b5-3-,8-6-
InChIKeyYUHICVAXAPACQN-NIOMPZRHSA-N
MW280.45 g/mol
LogP5.74
Rot. Bonds13

About (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid

(6Z,9Z)-16-methylheptadeca-6,9-dienoic acid (PubChem CID 5312303) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid.

Molecular Properties

Compound Name(6Z,9Z)-16-methylheptadeca-6,9-dienoic acid
PubChem CID5312303
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(6Z,9Z)-16-methylheptadeca-6,9-dienoic acid
SMILESCC(C)CCCCC/C=C\C/C=C\CCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5-6,8,17H,4,7,9-16H2,1-2H3,(H,19,20)/b5-3-,8-6-
InChIKeyYUHICVAXAPACQN-NIOMPZRHSA-N
XLogP5.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.74
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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Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid?
The IUPAC name of (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid (CID 5312303) is (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid.
What is the SMILES notation for (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid?
The canonical SMILES for (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid is CC(C)CCCCC/C=C\C/C=C\CCCCC(=O)O.
What is the InChIKey of (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid?
The InChIKey is YUHICVAXAPACQN-NIOMPZRHSA-N. The full InChI is InChI=1S/C18H32O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5-6,8,17H,4,7,9-16H2,1-2H3,(H,19,20)/b5-3-,8-6-.
What are the key properties of (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid?
(6Z,9Z)-16-methylheptadeca-6,9-dienoic acid has a molecular weight of 280.45 g/mol, XLogP of 5.74, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-16-methylheptadeca-6,9-dienoic acid is sourced from PubChem (CID 5312303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).