14,16-dimethyl-1-oxacyclohexadec-13-en-2-one

C17H30O2 — CID 78098447

IUPAC14,16-dimethyl-1-oxacyclohexadec-13-en-2-one
SMILESCC1=CCCCCCCCCCCC(=O)OC(C)C1
InChIInChI=1S/C17H30O2/c1-15-12-10-8-6-4-3-5-7-9-11-13-17(18)19-16(2)14-15/h12,16H,3-11,13-14H2,1-2H3
InChIKeyKUAKFFXWPJREFY-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.17
Rot. Bonds

About 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one

14,16-dimethyl-1-oxacyclohexadec-13-en-2-one (PubChem CID 78098447) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one.

Molecular Properties

Compound Name14,16-dimethyl-1-oxacyclohexadec-13-en-2-one
PubChem CID78098447
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name14,16-dimethyl-1-oxacyclohexadec-13-en-2-one
SMILESCC1=CCCCCCCCCCCC(=O)OC(C)C1
InChIInChI=1S/C17H30O2/c1-15-12-10-8-6-4-3-5-7-9-11-13-17(18)19-16(2)14-15/h12,16H,3-11,13-14H2,1-2H3
InChIKeyKUAKFFXWPJREFY-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one?
The IUPAC name of 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one (CID 78098447) is 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one.
What is the SMILES notation for 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one?
The canonical SMILES for 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one is CC1=CCCCCCCCCCCC(=O)OC(C)C1.
What is the InChIKey of 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one?
The InChIKey is KUAKFFXWPJREFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-15-12-10-8-6-4-3-5-7-9-11-13-17(18)19-16(2)14-15/h12,16H,3-11,13-14H2,1-2H3.
What are the key properties of 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one?
14,16-dimethyl-1-oxacyclohexadec-13-en-2-one has a molecular weight of 266.42 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,16-dimethyl-1-oxacyclohexadec-13-en-2-one is sourced from PubChem (CID 78098447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).