(5E,7Z)-hexadeca-5,7-dienoic acid

C16H28O2 — CID 87408185

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

About (5E,7Z)-hexadeca-5,7-dienoic acid

(5E,7Z)-hexadeca-5,7-dienoic acid (PubChem CID 87408185) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (5E,7Z)-hexadeca-5,7-dienoic acid.

Molecular Properties

Compound Name(5E,7Z)-hexadeca-5,7-dienoic acid
PubChem CID87408185
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(5E,7Z)-hexadeca-5,7-dienoic acid
SMILESCCCCCCCC/C=C\C=C\CCCC(=O)O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-12H,2-8,13-15H2,1H3,(H,17,18)/b10-9-,12-11+
InChIKeyCLDACUKWQZXZIN-XAZJVICWSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
pentadeca-5,7-dienoic acid
CID 123590047
(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
heptacosa-12,14-dienoic acid
CID 172824582
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
icosa-8,10,14-trienoic acid
CID 162425913
(Z)-tricos-5-enoic acid
CID 170849785
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
copper;(Z)-docos-13-enoic acid
CID 174615859

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-hexadeca-5,7-dienoic acid?
The IUPAC name of (5E,7Z)-hexadeca-5,7-dienoic acid (CID 87408185) is (5E,7Z)-hexadeca-5,7-dienoic acid.
What is the SMILES notation for (5E,7Z)-hexadeca-5,7-dienoic acid?
The canonical SMILES for (5E,7Z)-hexadeca-5,7-dienoic acid is CCCCCCCC/C=C\C=C\CCCC(=O)O.
What is the InChIKey of (5E,7Z)-hexadeca-5,7-dienoic acid?
The InChIKey is CLDACUKWQZXZIN-XAZJVICWSA-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/h9-12H,2-8,13-15H2,1H3,(H,17,18)/b10-9-,12-11+.
What are the key properties of (5E,7Z)-hexadeca-5,7-dienoic acid?
(5E,7Z)-hexadeca-5,7-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 (5E,7Z)-hexadeca-5,7-dienoic acid is sourced from PubChem (CID 87408185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).