(4E,7Z)-hexadeca-4,7-dienoic acid

C16H28O2 — CID 138137773

IUPAC(4E,7Z)-hexadeca-4,7-dienoic acid
SMILESCCCCCCCC/C=C\C/C=C/CCC(=O)O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,17,18)/b10-9-,13-12+
InChIKeyCQHASUVQRDMWKB-WBVBYKIGSA-N
MW252.40 g/mol
LogP5.10
Rot. Bonds12

About (4E,7Z)-hexadeca-4,7-dienoic acid

(4E,7Z)-hexadeca-4,7-dienoic acid (PubChem CID 138137773) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (4E,7Z)-hexadeca-4,7-dienoic acid.

Molecular Properties

Compound Name(4E,7Z)-hexadeca-4,7-dienoic acid
PubChem CID138137773
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(4E,7Z)-hexadeca-4,7-dienoic acid
SMILESCCCCCCCC/C=C\C/C=C/CCC(=O)O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,17,18)/b10-9-,13-12+
InChIKeyCQHASUVQRDMWKB-WBVBYKIGSA-N
XLogP5.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.10
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

(4E,7E,10E,13E,16Z)-docosa-4,7,10,13,16-pentaenoic acid
CID 122652087
(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 5282848
(4Z,7Z,10Z,13Z,16Z,19Z,22Z)-octacosa-4,7,10,13,16,19,22-heptaenoic acid
CID 14647893
(4E,7Z,10Z,13Z,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 122651983
(4E,9Z,12E)-octadeca-4,9,12-trienoic acid
CID 125183201
nonadec-4-enoic acid
CID 56637756
heptadec-4-enoic acid
CID 56621766
(Z)-tetradec-4-enoic acid
CID 5312399
docos-4-enoic acid
CID 56621449
triaconta-18,21-dienoic acid
CID 169276961
octacosa-15,18-dienoic acid
CID 169277492
(7Z)-docosa-7,10,13,16-tetraenoic acid
CID 87131782

Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-hexadeca-4,7-dienoic acid?
The IUPAC name of (4E,7Z)-hexadeca-4,7-dienoic acid (CID 138137773) is (4E,7Z)-hexadeca-4,7-dienoic acid.
What is the SMILES notation for (4E,7Z)-hexadeca-4,7-dienoic acid?
The canonical SMILES for (4E,7Z)-hexadeca-4,7-dienoic acid is CCCCCCCC/C=C\C/C=C/CCC(=O)O.
What is the InChIKey of (4E,7Z)-hexadeca-4,7-dienoic acid?
The InChIKey is CQHASUVQRDMWKB-WBVBYKIGSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,17,18)/b10-9-,13-12+.
What are the key properties of (4E,7Z)-hexadeca-4,7-dienoic acid?
(4E,7Z)-hexadeca-4,7-dienoic acid has a molecular weight of 252.40 g/mol, XLogP of 5.10, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z)-hexadeca-4,7-dienoic acid is sourced from PubChem (CID 138137773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).