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

C12H20O2 — CID 114969343

IUPAC2-cyclopentyl-1-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCC1)C1CCCCO1
InChIInChI=1S/C12H20O2/c13-11(9-10-5-1-2-6-10)12-7-3-4-8-14-12/h10,12H,1-9H2
InChIKeyZNSMIZAQRRBDBW-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds3

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

2-cyclopentyl-1-(oxan-2-yl)ethanone (PubChem CID 114969343) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclopentyl-1-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(oxan-2-yl)ethanone
PubChem CID114969343
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclopentyl-1-(oxan-2-yl)ethanone
SMILESO=C(CC1CCCC1)C1CCCCO1
InChIInChI=1S/C12H20O2/c13-11(9-10-5-1-2-6-10)12-7-3-4-8-14-12/h10,12H,1-9H2
InChIKeyZNSMIZAQRRBDBW-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-1-(oxan-2-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(oxan-2-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(oxan-2-yl)ethanone (CID 114969343) is 2-cyclopentyl-1-(oxan-2-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(oxan-2-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(oxan-2-yl)ethanone is O=C(CC1CCCC1)C1CCCCO1.
What is the InChIKey of 2-cyclopentyl-1-(oxan-2-yl)ethanone?
The InChIKey is ZNSMIZAQRRBDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-11(9-10-5-1-2-6-10)12-7-3-4-8-14-12/h10,12H,1-9H2.
What are the key properties of 2-cyclopentyl-1-(oxan-2-yl)ethanone?
2-cyclopentyl-1-(oxan-2-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(oxan-2-yl)ethanone is sourced from PubChem (CID 114969343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).