15-hydroxypentadec-10-enoic acid

C15H28O3 — CID 165358734

IUPAC15-hydroxypentadec-10-enoic acid
SMILESO=C(O)CCCCCCCCC=CCCCCO
InChIInChI=1S/C15H28O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h4,6,16H,1-3,5,7-14H2,(H,17,18)
InChIKeyLOGDWPXKJNYWPE-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.91
Rot. Bonds13

About 15-hydroxypentadec-10-enoic acid

15-hydroxypentadec-10-enoic acid (PubChem CID 165358734) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 15-hydroxypentadec-10-enoic acid.

Molecular Properties

Compound Name15-hydroxypentadec-10-enoic acid
PubChem CID165358734
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name15-hydroxypentadec-10-enoic acid
SMILESO=C(O)CCCCCCCCC=CCCCCO
InChIInChI=1S/C15H28O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h4,6,16H,1-3,5,7-14H2,(H,17,18)
InChIKeyLOGDWPXKJNYWPE-UHFFFAOYSA-N
XLogP3.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.91
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

(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
14-hydroxytetradec-5-enoic acid
CID 78383968
20-hydroxyicosa-5,14-dienoic acid
CID 85146176
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
tetradec-6-enedioic acid
CID 151545129
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
hexadecanoic acid;(Z)-octadec-9-en-1-ol
CID 174574592
docosanoic acid;(Z)-docos-13-en-1-ol
CID 174511877
(Z)-docos-13-en-1-ol;tetradecanoic acid
CID 175083189

Frequently Asked Questions

What is the IUPAC name of 15-hydroxypentadec-10-enoic acid?
The IUPAC name of 15-hydroxypentadec-10-enoic acid (CID 165358734) is 15-hydroxypentadec-10-enoic acid.
What is the SMILES notation for 15-hydroxypentadec-10-enoic acid?
The canonical SMILES for 15-hydroxypentadec-10-enoic acid is O=C(O)CCCCCCCCC=CCCCCO.
What is the InChIKey of 15-hydroxypentadec-10-enoic acid?
The InChIKey is LOGDWPXKJNYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h4,6,16H,1-3,5,7-14H2,(H,17,18).
What are the key properties of 15-hydroxypentadec-10-enoic acid?
15-hydroxypentadec-10-enoic acid has a molecular weight of 256.39 g/mol, XLogP of 3.91, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxypentadec-10-enoic acid is sourced from PubChem (CID 165358734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).