14-methyl-15-oxopentadec-2-enoic acid

C16H28O3 — CID 163045646

IUPAC14-methyl-15-oxopentadec-2-enoic acid
SMILESCC(C=O)CCCCCCCCCCC=CC(=O)O
InChIInChI=1S/C16H28O3/c1-15(14-17)12-10-8-6-4-2-3-5-7-9-11-13-16(18)19/h11,13-15H,2-10,12H2,1H3,(H,18,19)
InChIKeyPEMFRIONVPNSBD-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.36
Rot. Bonds13

About 14-methyl-15-oxopentadec-2-enoic acid

14-methyl-15-oxopentadec-2-enoic acid (PubChem CID 163045646) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 14-methyl-15-oxopentadec-2-enoic acid.

Molecular Properties

Compound Name14-methyl-15-oxopentadec-2-enoic acid
PubChem CID163045646
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name14-methyl-15-oxopentadec-2-enoic acid
SMILESCC(C=O)CCCCCCCCCCC=CC(=O)O
InChIInChI=1S/C16H28O3/c1-15(14-17)12-10-8-6-4-2-3-5-7-9-11-13-16(18)19/h11,13-15H,2-10,12H2,1H3,(H,18,19)
InChIKeyPEMFRIONVPNSBD-UHFFFAOYSA-N
XLogP4.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-15-oxopentadec-2-enoic acid?
The IUPAC name of 14-methyl-15-oxopentadec-2-enoic acid (CID 163045646) is 14-methyl-15-oxopentadec-2-enoic acid.
What is the SMILES notation for 14-methyl-15-oxopentadec-2-enoic acid?
The canonical SMILES for 14-methyl-15-oxopentadec-2-enoic acid is CC(C=O)CCCCCCCCCCC=CC(=O)O.
What is the InChIKey of 14-methyl-15-oxopentadec-2-enoic acid?
The InChIKey is PEMFRIONVPNSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-15(14-17)12-10-8-6-4-2-3-5-7-9-11-13-16(18)19/h11,13-15H,2-10,12H2,1H3,(H,18,19).
What are the key properties of 14-methyl-15-oxopentadec-2-enoic acid?
14-methyl-15-oxopentadec-2-enoic acid has a molecular weight of 268.40 g/mol, XLogP of 4.36, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-15-oxopentadec-2-enoic acid is sourced from PubChem (CID 163045646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).