12-hydroxyheptadec-14-enoic acid

C17H32O3 — CID 169277009

IUPAC12-hydroxyheptadec-14-enoic acid
SMILESCCC=CCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h3,10,16,18H,2,4-9,11-15H2,1H3,(H,19,20)
InChIKeyXKSZWWLJXWMTGX-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.69
Rot. Bonds14

About 12-hydroxyheptadec-14-enoic acid

12-hydroxyheptadec-14-enoic acid (PubChem CID 169277009) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 12-hydroxyheptadec-14-enoic acid.

Molecular Properties

Compound Name12-hydroxyheptadec-14-enoic acid
PubChem CID169277009
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name12-hydroxyheptadec-14-enoic acid
SMILESCCC=CCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h3,10,16,18H,2,4-9,11-15H2,1H3,(H,19,20)
InChIKeyXKSZWWLJXWMTGX-UHFFFAOYSA-N
XLogP4.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

17-hydroxydocos-19-enoic acid
CID 169277016
11-hydroxyheptadec-13-enoic acid
CID 169277331
19-hydroxytricos-21-enoic acid
CID 169277159
(12R,31R)-12,31-dihydroxydotetraconta-9,33-dienedioic acid
CID 54536675
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
22-hydroxynonacosa-24,27-dienoic acid
CID 169277076
CID 131874957
CID 131874957
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
(7S,9S,10S,12Z,15Z)-7,9,10-trihydroxyoctadeca-12,15-dienoic acid
CID 125416249

Frequently Asked Questions

What is the IUPAC name of 12-hydroxyheptadec-14-enoic acid?
The IUPAC name of 12-hydroxyheptadec-14-enoic acid (CID 169277009) is 12-hydroxyheptadec-14-enoic acid.
What is the SMILES notation for 12-hydroxyheptadec-14-enoic acid?
The canonical SMILES for 12-hydroxyheptadec-14-enoic acid is CCC=CCC(O)CCCCCCCCCCC(=O)O.
What is the InChIKey of 12-hydroxyheptadec-14-enoic acid?
The InChIKey is XKSZWWLJXWMTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h3,10,16,18H,2,4-9,11-15H2,1H3,(H,19,20).
What are the key properties of 12-hydroxyheptadec-14-enoic acid?
12-hydroxyheptadec-14-enoic acid has a molecular weight of 284.44 g/mol, XLogP of 4.69, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxyheptadec-14-enoic acid is sourced from PubChem (CID 169277009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).