2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one

C12H18O2 — CID 130696822

IUPAC2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)C1=COCC1)C1CCC1
InChIInChI=1S/C12H18O2/c1-12(2,10-4-3-5-10)11(13)9-6-7-14-8-9/h8,10H,3-7H2,1-2H3
InChIKeyFDNDNRLSJCXLGP-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds3

About 2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one

2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one (PubChem CID 130696822) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one
PubChem CID130696822
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)C1=COCC1)C1CCC1
InChIInChI=1S/C12H18O2/c1-12(2,10-4-3-5-10)11(13)9-6-7-14-8-9/h8,10H,3-7H2,1-2H3
InChIKeyFDNDNRLSJCXLGP-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

(3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one
CID 59962730
3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115798015
1-(3,4-dihydro-2H-pyran-5-yl)-3,5,5-trimethylhexan-1-one
CID 115798042
1-(3,4-dihydro-2H-pyran-5-yl)-3,4,4-trimethylpentan-1-one
CID 115798092
2,3-Dihydrofuran-4-yl-(4-methylcyclohexyl)methanone
CID 130579220
1-(2,3-Dihydrofuran-4-yl)-3,3-dimethylbutan-1-one
CID 130579242
Cyclobutyl(2,3-dihydrofuran-4-yl)methanone
CID 130579251
2,3-Dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone
CID 130579264
2,3-Dihydrofuran-4-yl-(4,4-dimethylcyclohexyl)methanone
CID 130579266
2,3-Dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone
CID 130579270
2,3-Dihydrofuran-4-yl-(2-methylcyclopropyl)methanone
CID 130579271
2,3-Dihydrofuran-4-yl-(2,2-dimethylcyclopropyl)methanone
CID 130579391

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one?
The IUPAC name of 2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one (CID 130696822) is 2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one is CC(C)(C(=O)C1=COCC1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one?
The InChIKey is FDNDNRLSJCXLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,10-4-3-5-10)11(13)9-6-7-14-8-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one?
2-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one 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-cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 130696822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).