1-cyclopentyl-2-(oxan-3-yl)ethanone

C12H20O2 — CID 107135385

IUPAC1-cyclopentyl-2-(oxan-3-yl)ethanone
SMILESO=C(CC1CCCOC1)C1CCCC1
InChIInChI=1S/C12H20O2/c13-12(11-5-1-2-6-11)8-10-4-3-7-14-9-10/h10-11H,1-9H2
InChIKeyJIZAXHGEAJSQAF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds3

About 1-cyclopentyl-2-(oxan-3-yl)ethanone

1-cyclopentyl-2-(oxan-3-yl)ethanone (PubChem CID 107135385) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclopentyl-2-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(oxan-3-yl)ethanone
PubChem CID107135385
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-cyclopentyl-2-(oxan-3-yl)ethanone
SMILESO=C(CC1CCCOC1)C1CCCC1
InChIInChI=1S/C12H20O2/c13-12(11-5-1-2-6-11)8-10-4-3-7-14-9-10/h10-11H,1-9H2
InChIKeyJIZAXHGEAJSQAF-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-2-(oxan-3-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(oxan-3-yl)butan-2-one
CID 103847209
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
CID 103986258
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone
CID 110855934
1-(oxan-3-yl)pentan-1-one
CID 65332332
2-(azetidin-3-yl)-1-(oxolan-3-yl)ethanone
CID 116582222
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
CID 107135975
2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid
CID 65065307

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(oxan-3-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(oxan-3-yl)ethanone (CID 107135385) is 1-cyclopentyl-2-(oxan-3-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(oxan-3-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(oxan-3-yl)ethanone is O=C(CC1CCCOC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(oxan-3-yl)ethanone?
The InChIKey is JIZAXHGEAJSQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(11-5-1-2-6-11)8-10-4-3-7-14-9-10/h10-11H,1-9H2.
What are the key properties of 1-cyclopentyl-2-(oxan-3-yl)ethanone?
1-cyclopentyl-2-(oxan-3-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(oxan-3-yl)ethanone is sourced from PubChem (CID 107135385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).