16-ethyl-oxacyclohexadecan-2-one

C17H32O2 — CID 71324140

IUPAC16-ethyl-oxacyclohexadecan-2-one
SMILESCCC1CCCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H32O2/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19-16/h16H,2-15H2,1H3
InChIKeyTVEJGYXHVUVXPF-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.39
Rot. Bonds1

About 16-ethyl-oxacyclohexadecan-2-one

16-ethyl-oxacyclohexadecan-2-one (PubChem CID 71324140) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 16-ethyl-oxacyclohexadecan-2-one.

Molecular Properties

Compound Name16-ethyl-oxacyclohexadecan-2-one
PubChem CID71324140
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name16-ethyl-oxacyclohexadecan-2-one
SMILESCCC1CCCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H32O2/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19-16/h16H,2-15H2,1H3
InChIKeyTVEJGYXHVUVXPF-UHFFFAOYSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Methyl Decanoate
CID 8050
Ethyl Dodecanoate
CID 7800
Tricaprin
CID 69310

Frequently Asked Questions

What is the IUPAC name of 16-ethyl-oxacyclohexadecan-2-one?
The IUPAC name of 16-ethyl-oxacyclohexadecan-2-one (CID 71324140) is 16-ethyl-oxacyclohexadecan-2-one.
What is the SMILES notation for 16-ethyl-oxacyclohexadecan-2-one?
The canonical SMILES for 16-ethyl-oxacyclohexadecan-2-one is CCC1CCCCCCCCCCCCCC(=O)O1.
What is the InChIKey of 16-ethyl-oxacyclohexadecan-2-one?
The InChIKey is TVEJGYXHVUVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19-16/h16H,2-15H2,1H3.
What are the key properties of 16-ethyl-oxacyclohexadecan-2-one?
16-ethyl-oxacyclohexadecan-2-one has a molecular weight of 268.44 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-ethyl-oxacyclohexadecan-2-one is sourced from PubChem (CID 71324140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).