15-methylhexadec-11-enoic acid

C17H32O2 — CID 71371114

IUPAC15-methylhexadec-11-enoic acid
SMILESCC(C)CCC=CCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h8,10,16H,3-7,9,11-15H2,1-2H3,(H,18,19)
InChIKeyDUARHATZMSOGKI-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.57
Rot. Bonds13

About 15-methylhexadec-11-enoic acid

15-methylhexadec-11-enoic acid (PubChem CID 71371114) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 15-methylhexadec-11-enoic acid.

Molecular Properties

Compound Name15-methylhexadec-11-enoic acid
PubChem CID71371114
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name15-methylhexadec-11-enoic acid
SMILESCC(C)CCC=CCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h8,10,16H,3-7,9,11-15H2,1-2H3,(H,18,19)
InChIKeyDUARHATZMSOGKI-UHFFFAOYSA-N
XLogP5.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-methylhexadec-11-enoic acid?
The IUPAC name of 15-methylhexadec-11-enoic acid (CID 71371114) is 15-methylhexadec-11-enoic acid.
What is the SMILES notation for 15-methylhexadec-11-enoic acid?
The canonical SMILES for 15-methylhexadec-11-enoic acid is CC(C)CCC=CCCCCCCCCCC(=O)O.
What is the InChIKey of 15-methylhexadec-11-enoic acid?
The InChIKey is DUARHATZMSOGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h8,10,16H,3-7,9,11-15H2,1-2H3,(H,18,19).
What are the key properties of 15-methylhexadec-11-enoic acid?
15-methylhexadec-11-enoic acid has a molecular weight of 268.44 g/mol, XLogP of 5.57, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methylhexadec-11-enoic acid is sourced from PubChem (CID 71371114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).