(16R)-16-methyl-oxacyclohexadecan-2-one

C16H30O2 — CID 10978020

IUPAC(16R)-16-methyl-oxacyclohexadecan-2-one
SMILESC[C@@H]1CCCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3/t15-/m1/s1
InChIKeyGILZFLFJYUGJLX-OAHLLOKOSA-N
MW254.41 g/mol
LogP5.00
Rot. Bonds

About (16R)-16-methyl-oxacyclohexadecan-2-one

(16R)-16-methyl-oxacyclohexadecan-2-one (PubChem CID 10978020) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (16R)-16-methyl-oxacyclohexadecan-2-one.

Molecular Properties

Compound Name(16R)-16-methyl-oxacyclohexadecan-2-one
PubChem CID10978020
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(16R)-16-methyl-oxacyclohexadecan-2-one
SMILESC[C@@H]1CCCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3/t15-/m1/s1
InChIKeyGILZFLFJYUGJLX-OAHLLOKOSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (16R)-16-methyl-oxacyclohexadecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (16R)-16-methyl-oxacyclohexadecan-2-one?
The IUPAC name of (16R)-16-methyl-oxacyclohexadecan-2-one (CID 10978020) is (16R)-16-methyl-oxacyclohexadecan-2-one.
What is the SMILES notation for (16R)-16-methyl-oxacyclohexadecan-2-one?
The canonical SMILES for (16R)-16-methyl-oxacyclohexadecan-2-one is C[C@@H]1CCCCCCCCCCCCCC(=O)O1.
What is the InChIKey of (16R)-16-methyl-oxacyclohexadecan-2-one?
The InChIKey is GILZFLFJYUGJLX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3/t15-/m1/s1.
What are the key properties of (16R)-16-methyl-oxacyclohexadecan-2-one?
(16R)-16-methyl-oxacyclohexadecan-2-one has a molecular weight of 254.41 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-16-methyl-oxacyclohexadecan-2-one is sourced from PubChem (CID 10978020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).