4-methyl-oxacyclohexadecan-6-one

C16H30O2 — CID 168890515

IUPAC4-methyl-oxacyclohexadecan-6-one
SMILESCC1CCOCCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H30O2/c1-15-11-13-18-12-9-7-5-3-2-4-6-8-10-16(17)14-15/h15H,2-14H2,1H3
InChIKeyGRWKGAOXVPOEGP-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.51
Rot. Bonds

About 4-methyl-oxacyclohexadecan-6-one

4-methyl-oxacyclohexadecan-6-one (PubChem CID 168890515) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-methyl-oxacyclohexadecan-6-one.

Molecular Properties

Compound Name4-methyl-oxacyclohexadecan-6-one
PubChem CID168890515
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4-methyl-oxacyclohexadecan-6-one
SMILESCC1CCOCCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H30O2/c1-15-11-13-18-12-9-7-5-3-2-4-6-8-10-16(17)14-15/h15H,2-14H2,1H3
InChIKeyGRWKGAOXVPOEGP-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-oxacyclohexadecan-6-one?
The IUPAC name of 4-methyl-oxacyclohexadecan-6-one (CID 168890515) is 4-methyl-oxacyclohexadecan-6-one.
What is the SMILES notation for 4-methyl-oxacyclohexadecan-6-one?
The canonical SMILES for 4-methyl-oxacyclohexadecan-6-one is CC1CCOCCCCCCCCCCC(=O)C1.
What is the InChIKey of 4-methyl-oxacyclohexadecan-6-one?
The InChIKey is GRWKGAOXVPOEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-15-11-13-18-12-9-7-5-3-2-4-6-8-10-16(17)14-15/h15H,2-14H2,1H3.
What are the key properties of 4-methyl-oxacyclohexadecan-6-one?
4-methyl-oxacyclohexadecan-6-one has a molecular weight of 254.41 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-oxacyclohexadecan-6-one is sourced from PubChem (CID 168890515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).