(8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid

C17H30O3 — CID 5312764

IUPAC(8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid
SMILESCCCCCC(O)/C=C/C=C/CCCCCCC(=O)O
InChIInChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h6,8,11,14,16,18H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b8-6+,14-11+
InChIKeyINVCGLRLLKLTGP-SIGMCMEVSA-N
MW282.42 g/mol
LogP4.47
Rot. Bonds13

About (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid

(8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid (PubChem CID 5312764) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid.

Molecular Properties

Compound Name(8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid
PubChem CID5312764
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid
SMILESCCCCCC(O)/C=C/C=C/CCCCCCC(=O)O
InChIInChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h6,8,11,14,16,18H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b8-6+,14-11+
InChIKeyINVCGLRLLKLTGP-SIGMCMEVSA-N
XLogP4.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid?
The IUPAC name of (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid (CID 5312764) is (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid.
What is the SMILES notation for (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid?
The canonical SMILES for (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid is CCCCCC(O)/C=C/C=C/CCCCCCC(=O)O.
What is the InChIKey of (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid?
The InChIKey is INVCGLRLLKLTGP-SIGMCMEVSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h6,8,11,14,16,18H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b8-6+,14-11+.
What are the key properties of (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid?
(8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid has a molecular weight of 282.42 g/mol, XLogP of 4.47, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid is sourced from PubChem (CID 5312764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).