14-oxopentadec-10-ynoic acid

C15H24O3 — CID 21432369

IUPAC14-oxopentadec-10-ynoic acid
SMILESCC(=O)CCC#CCCCCCCCCC(=O)O
InChIInChI=1S/C15H24O3/c1-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h2-5,7,9-13H2,1H3,(H,17,18)
InChIKeyUSOFEGPPMASUDJ-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.56
Rot. Bonds10

About 14-oxopentadec-10-ynoic acid

14-oxopentadec-10-ynoic acid (PubChem CID 21432369) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 14-oxopentadec-10-ynoic acid.

Molecular Properties

Compound Name14-oxopentadec-10-ynoic acid
PubChem CID21432369
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name14-oxopentadec-10-ynoic acid
SMILESCC(=O)CCC#CCCCCCCCCC(=O)O
InChIInChI=1S/C15H24O3/c1-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h2-5,7,9-13H2,1H3,(H,17,18)
InChIKeyUSOFEGPPMASUDJ-UHFFFAOYSA-N
XLogP3.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
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

tetracos-12-ynedioic acid
CID 14631215
9-oxodec-4-ynoic acid
CID 12893740
icosa-4,16-diynedioic acid
CID 121000180
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
non-7-ynoic acid
CID 549239
11-hydroxyundec-7-ynoic acid
CID 44576578
heptacosa-10,12,17-triynedioic acid
CID 4107670
octadeca-4,16-diynoic acid
CID 169448081
dodec-6-ynoic acid
CID 5312609

Frequently Asked Questions

What is the IUPAC name of 14-oxopentadec-10-ynoic acid?
The IUPAC name of 14-oxopentadec-10-ynoic acid (CID 21432369) is 14-oxopentadec-10-ynoic acid.
What is the SMILES notation for 14-oxopentadec-10-ynoic acid?
The canonical SMILES for 14-oxopentadec-10-ynoic acid is CC(=O)CCC#CCCCCCCCCC(=O)O.
What is the InChIKey of 14-oxopentadec-10-ynoic acid?
The InChIKey is USOFEGPPMASUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h2-5,7,9-13H2,1H3,(H,17,18).
What are the key properties of 14-oxopentadec-10-ynoic acid?
14-oxopentadec-10-ynoic acid has a molecular weight of 252.35 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxopentadec-10-ynoic acid is sourced from PubChem (CID 21432369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).