3-ethyloxepan-2-one

C8H14O2 — CID 22116783

IUPAC3-ethyloxepan-2-one
SMILESCCC1CCCCOC1=O
InChIInChI=1S/C8H14O2/c1-2-7-5-3-4-6-10-8(7)9/h7H,2-6H2,1H3
InChIKeyDBBJDJNEABXOIX-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds1

About 3-ethyloxepan-2-one

3-ethyloxepan-2-one (PubChem CID 22116783) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethyloxepan-2-one.

Molecular Properties

Compound Name3-ethyloxepan-2-one
PubChem CID22116783
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-ethyloxepan-2-one
SMILESCCC1CCCCOC1=O
InChIInChI=1S/C8H14O2/c1-2-7-5-3-4-6-10-8(7)9/h7H,2-6H2,1H3
InChIKeyDBBJDJNEABXOIX-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Z)-pent-2-enyl]oxan-2-one
CID 67243802
(3S)-3-prop-2-ynyloxepan-2-one
CID 129410245
3-butyloxan-2-one;ethane
CID 142135562
3-[(3R)-2-oxooxepan-3-yl]propanenitrile
CID 132544604
3-(3-pentoxypropyl)oxan-2-one
CID 143079835
3-propyl-1-oxacyclohexadec-7-en-2-one
CID 67424934
3-(2-nitroethyl)oxepan-2-one
CID 100967975
3-(2-methoxyethylsulfonylmethyl)oxan-2-one
CID 146514453
3-butanoyloxepan-2-one
CID 139651145
3-[(4-hydroxyphenyl)methyl]oxepan-2-one
CID 67500660
3-[(E)-pent-3-enyl]oxan-2-one
CID 87458260
3-butanethioyloxan-2-one
CID 134985858

Frequently Asked Questions

What is the IUPAC name of 3-ethyloxepan-2-one?
The IUPAC name of 3-ethyloxepan-2-one (CID 22116783) is 3-ethyloxepan-2-one.
What is the SMILES notation for 3-ethyloxepan-2-one?
The canonical SMILES for 3-ethyloxepan-2-one is CCC1CCCCOC1=O.
What is the InChIKey of 3-ethyloxepan-2-one?
The InChIKey is DBBJDJNEABXOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-7-5-3-4-6-10-8(7)9/h7H,2-6H2,1H3.
What are the key properties of 3-ethyloxepan-2-one?
3-ethyloxepan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloxepan-2-one is sourced from PubChem (CID 22116783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).