16-methyl-oxacyclohexadecan-2-one

C16H30O2 — CID 543385

IUPAC16-methyl-oxacyclohexadecan-2-one
SMILESCC1CCCCCCCCCCCCCC(=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
InChIKeyGILZFLFJYUGJLX-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.00
Rot. Bonds

About 16-methyl-oxacyclohexadecan-2-one

16-methyl-oxacyclohexadecan-2-one (PubChem CID 543385) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 16-methyl-oxacyclohexadecan-2-one.

Molecular Properties

Compound Name16-methyl-oxacyclohexadecan-2-one
PubChem CID543385
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name16-methyl-oxacyclohexadecan-2-one
SMILESCC1CCCCCCCCCCCCCC(=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
InChIKeyGILZFLFJYUGJLX-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 16-methyl-oxacyclohexadecan-2-one?
The IUPAC name of 16-methyl-oxacyclohexadecan-2-one (CID 543385) is 16-methyl-oxacyclohexadecan-2-one.
What is the SMILES notation for 16-methyl-oxacyclohexadecan-2-one?
The canonical SMILES for 16-methyl-oxacyclohexadecan-2-one is CC1CCCCCCCCCCCCCC(=O)O1.
What is the InChIKey of 16-methyl-oxacyclohexadecan-2-one?
The InChIKey is GILZFLFJYUGJLX-UHFFFAOYSA-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.
What are the key properties of 16-methyl-oxacyclohexadecan-2-one?
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 16-methyl-oxacyclohexadecan-2-one is sourced from PubChem (CID 543385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).