(7Z,11Z)-4-methylheptadeca-7,11-dienoic acid

C18H32O2 — CID 10468893

IUPAC(7Z,11Z)-4-methylheptadeca-7,11-dienoic acid
SMILESCCCCC/C=C\CC/C=C\CCC(C)CCC(=O)O
InChIInChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(19)20/h7-8,11-12,17H,3-6,9-10,13-16H2,1-2H3,(H,19,20)/b8-7-,12-11-
InChIKeyHNLWSHWQZXSOLR-MQEUWQHPSA-N
MW280.45 g/mol
LogP5.74
Rot. Bonds13

About (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid

(7Z,11Z)-4-methylheptadeca-7,11-dienoic acid (PubChem CID 10468893) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid.

Molecular Properties

Compound Name(7Z,11Z)-4-methylheptadeca-7,11-dienoic acid
PubChem CID10468893
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(7Z,11Z)-4-methylheptadeca-7,11-dienoic acid
SMILESCCCCC/C=C\CC/C=C\CCC(C)CCC(=O)O
InChIInChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(19)20/h7-8,11-12,17H,3-6,9-10,13-16H2,1-2H3,(H,19,20)/b8-7-,12-11-
InChIKeyHNLWSHWQZXSOLR-MQEUWQHPSA-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 (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid?
The IUPAC name of (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid (CID 10468893) is (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid.
What is the SMILES notation for (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid?
The canonical SMILES for (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid is CCCCC/C=C\CC/C=C\CCC(C)CCC(=O)O.
What is the InChIKey of (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid?
The InChIKey is HNLWSHWQZXSOLR-MQEUWQHPSA-N. The full InChI is InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(19)20/h7-8,11-12,17H,3-6,9-10,13-16H2,1-2H3,(H,19,20)/b8-7-,12-11-.
What are the key properties of (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid?
(7Z,11Z)-4-methylheptadeca-7,11-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 (7Z,11Z)-4-methylheptadeca-7,11-dienoic acid is sourced from PubChem (CID 10468893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).