2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone

C12H18O2 — CID 130579270

IUPAC2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone
SMILESCCC1CCC(C(=O)C2=COCC2)C1
InChIInChI=1S/C12H18O2/c1-2-9-3-4-10(7-9)12(13)11-5-6-14-8-11/h8-10H,2-7H2,1H3
InChIKeyZYBHTYSSJOBVEI-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds3

About 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone

2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone (PubChem CID 130579270) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone
PubChem CID130579270
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone
SMILESCCC1CCC(C(=O)C2=COCC2)C1
InChIInChI=1S/C12H18O2/c1-2-9-3-4-10(7-9)12(13)11-5-6-14-8-11/h8-10H,2-7H2,1H3
InChIKeyZYBHTYSSJOBVEI-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[3-(Cyclopentylidenemethoxy)propyl]cyclopentan-1-one
CID 176604431
(3aR,4E,6R,6aS)-4-(methoxymethylidene)-6-propyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
CID 10632258
1-[(4aS,7aR)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]ethanone
CID 59954686
2-Methyl-1-(6-oxaspiro[4.5]decan-9-yl)prop-2-en-1-one
CID 103446400
cyclopentyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058253
3,4-dihydro-2H-pyran-5-yl-(3-methylcyclopentyl)methanone
CID 104058355
3,4-dihydro-2H-pyran-5-yl-(3-ethylcyclopentyl)methanone
CID 104058356
3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopentyl)methanone
CID 107187415
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
CID 115798032
3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
CID 115798210

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone (CID 130579270) is 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone is CCC1CCC(C(=O)C2=COCC2)C1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone?
The InChIKey is ZYBHTYSSJOBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-9-3-4-10(7-9)12(13)11-5-6-14-8-11/h8-10H,2-7H2,1H3.
What are the key properties of 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone?
2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone is sourced from PubChem (CID 130579270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).