(7Z,9E)-octadeca-7,9-dienoic acid

C18H32O2 — CID 10214758

IUPAC(7Z,9E)-octadeca-7,9-dienoic acid
SMILESCCCCCCCC/C=C/C=C\CCCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-12H,2-8,13-17H2,1H3,(H,19,20)/b10-9+,12-11-
InChIKeyHACBQSMIIGXKGA-PVHUKWJHSA-N
MW280.45 g/mol
LogP5.88
Rot. Bonds14

About (7Z,9E)-octadeca-7,9-dienoic acid

(7Z,9E)-octadeca-7,9-dienoic acid (PubChem CID 10214758) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (7Z,9E)-octadeca-7,9-dienoic acid.

Molecular Properties

Compound Name(7Z,9E)-octadeca-7,9-dienoic acid
PubChem CID10214758
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(7Z,9E)-octadeca-7,9-dienoic acid
SMILESCCCCCCCC/C=C/C=C\CCCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-12H,2-8,13-17H2,1H3,(H,19,20)/b10-9+,12-11-
InChIKeyHACBQSMIIGXKGA-PVHUKWJHSA-N
XLogP5.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
heptacosa-12,14-dienoic acid
CID 172824582
icosa-8,10,14-trienoic acid
CID 162425913
pentadeca-5,7-dienoic acid
CID 123590047
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
copper;(Z)-docos-13-enoic acid
CID 174615859
(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
copper;iron;(Z)-octadec-9-enoic acid
CID 174924347
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133

Frequently Asked Questions

What is the IUPAC name of (7Z,9E)-octadeca-7,9-dienoic acid?
The IUPAC name of (7Z,9E)-octadeca-7,9-dienoic acid (CID 10214758) is (7Z,9E)-octadeca-7,9-dienoic acid.
What is the SMILES notation for (7Z,9E)-octadeca-7,9-dienoic acid?
The canonical SMILES for (7Z,9E)-octadeca-7,9-dienoic acid is CCCCCCCC/C=C/C=C\CCCCCC(=O)O.
What is the InChIKey of (7Z,9E)-octadeca-7,9-dienoic acid?
The InChIKey is HACBQSMIIGXKGA-PVHUKWJHSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-12H,2-8,13-17H2,1H3,(H,19,20)/b10-9+,12-11-.
What are the key properties of (7Z,9E)-octadeca-7,9-dienoic acid?
(7Z,9E)-octadeca-7,9-dienoic acid has a molecular weight of 280.45 g/mol, XLogP of 5.88, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9E)-octadeca-7,9-dienoic acid is sourced from PubChem (CID 10214758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).