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

C12H20O2 — CID 114969273

IUPAC2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone
SMILESCC1CCOC1C(=O)CC1CCCC1
InChIInChI=1S/C12H20O2/c1-9-6-7-14-12(9)11(13)8-10-4-2-3-5-10/h9-10,12H,2-8H2,1H3
InChIKeyLJLWIEMSGGQDDI-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds3

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

2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone (PubChem CID 114969273) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone
PubChem CID114969273
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone
SMILESCC1CCOC1C(=O)CC1CCCC1
InChIInChI=1S/C12H20O2/c1-9-6-7-14-12(9)11(13)8-10-4-2-3-5-10/h9-10,12H,2-8H2,1H3
InChIKeyLJLWIEMSGGQDDI-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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone (CID 114969273) is 2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone is CC1CCOC1C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone?
The InChIKey is LJLWIEMSGGQDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-6-7-14-12(9)11(13)8-10-4-2-3-5-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone?
2-cyclopentyl-1-(3-methyloxolan-2-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 2-cyclopentyl-1-(3-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 114969273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).