2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone

C11H14O3 — CID 115795793

IUPAC2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2ccoc2)CO1
InChIInChI=1S/C11H14O3/c1-8-4-10(7-14-8)11(12)5-9-2-3-13-6-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyNKPYHIOKYDBARJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.82
Rot. Bonds3

About 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone

2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone (PubChem CID 115795793) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone
PubChem CID115795793
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2ccoc2)CO1
InChIInChI=1S/C11H14O3/c1-8-4-10(7-14-8)11(12)5-9-2-3-13-6-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyNKPYHIOKYDBARJ-UHFFFAOYSA-N
XLogP1.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825779
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114964753
2-(furan-3-yl)-1-(5-methyloxolan-2-yl)ethanone
CID 115795921
1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone
CID 114825947
2-(furan-3-yl)-1-(oxolan-2-yl)ethanone
CID 83171959
2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114967227
1-(5-methyloxolan-3-yl)but-3-en-1-one
CID 114964274
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114965714
1-(6-bicyclo[3.1.0]hexanyl)-2-(furan-3-yl)ethanone
CID 115795935
2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825946
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
CID 114972104

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone (CID 115795793) is 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone is CC1CC(C(=O)Cc2ccoc2)CO1.
What is the InChIKey of 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone?
The InChIKey is NKPYHIOKYDBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-10(7-14-8)11(12)5-9-2-3-13-6-9/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone?
2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 115795793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).