16-hydroxyoctadec-14-ynoic acid

C18H32O3 — CID 86215783

IUPAC16-hydroxyoctadec-14-ynoic acid
SMILESCCC(O)C#CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h17,19H,2-12,14,16H2,1H3,(H,20,21)
InChIKeySQAZSOMGNUDHIQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.53
Rot. Bonds13

About 16-hydroxyoctadec-14-ynoic acid

16-hydroxyoctadec-14-ynoic acid (PubChem CID 86215783) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 16-hydroxyoctadec-14-ynoic acid.

Molecular Properties

Compound Name16-hydroxyoctadec-14-ynoic acid
PubChem CID86215783
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name16-hydroxyoctadec-14-ynoic acid
SMILESCCC(O)C#CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h17,19H,2-12,14,16H2,1H3,(H,20,21)
InChIKeySQAZSOMGNUDHIQ-UHFFFAOYSA-N
XLogP4.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxydodec-5-ynoic acid
CID 169494808
tetracos-12-ynedioic acid
CID 14631215
(14R)-14-hydroxyoctadeca-10,12-diynoic acid
CID 2337328
docosa-7,15-diynoic acid
CID 87546312
dotriacont-13-ynoic acid
CID 16654690
tridec-9-ynoic acid
CID 5312723
pentacos-6-ynoic acid
CID 71542375
(6S)-6-hydroxydec-4-ynoic acid
CID 162981215
16-hydroxyheptadeca-10,12,14-triynoic acid
CID 24740384
non-7-ynoic acid
CID 549239
dodec-6-ynoic acid
CID 5312609
tricosa-10,12-diynedioic acid
CID 3516470

Frequently Asked Questions

What is the IUPAC name of 16-hydroxyoctadec-14-ynoic acid?
The IUPAC name of 16-hydroxyoctadec-14-ynoic acid (CID 86215783) is 16-hydroxyoctadec-14-ynoic acid.
What is the SMILES notation for 16-hydroxyoctadec-14-ynoic acid?
The canonical SMILES for 16-hydroxyoctadec-14-ynoic acid is CCC(O)C#CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 16-hydroxyoctadec-14-ynoic acid?
The InChIKey is SQAZSOMGNUDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h17,19H,2-12,14,16H2,1H3,(H,20,21).
What are the key properties of 16-hydroxyoctadec-14-ynoic acid?
16-hydroxyoctadec-14-ynoic acid has a molecular weight of 296.45 g/mol, XLogP of 4.53, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxyoctadec-14-ynoic acid is sourced from PubChem (CID 86215783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).