1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one

C11H18O2 — CID 130806519

IUPAC1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one
SMILESCC(C(=O)C1=COCC1)C(C)(C)C
InChIInChI=1S/C11H18O2/c1-8(11(2,3)4)10(12)9-5-6-13-7-9/h7-8H,5-6H2,1-4H3
InChIKeyQZYCAZBIZFPHKZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds2

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

1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one (PubChem CID 130806519) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one
PubChem CID130806519
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one
SMILESCC(C(=O)C1=COCC1)C(C)(C)C
InChIInChI=1S/C11H18O2/c1-8(11(2,3)4)10(12)9-5-6-13-7-9/h7-8H,5-6H2,1-4H3
InChIKeyQZYCAZBIZFPHKZ-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Ditert-butyl-2,3-dihydropyran-4-one
CID 59066309
1-(3,4-dihydro-2H-pyran-5-yl)-3,4,4-trimethylpentan-1-one
CID 115798092
1-(2,3-Dihydrofuran-4-yl)-2-methylpropan-1-one
CID 130579192
1-(2,3-Dihydrofuran-4-yl)-2-methylbutan-1-one
CID 130579240
1-(2,3-Dihydrofuran-4-yl)-3,3-dimethylbutan-1-one
CID 130579242
2,3-Dihydrofuran-4-yl-(4,4-dimethylcyclohexyl)methanone
CID 130579266
2,3-Dihydrofuran-4-yl-(2-methylcyclopropyl)methanone
CID 130579271
2,3-Dihydrofuran-4-yl-(1-methylcyclopropyl)methanone
CID 130579298
2,3-Dihydrofuran-4-yl-(2,2-dimethylcyclopropyl)methanone
CID 130579391
2,3-Dihydrofuran-4-yl-(2,2-dimethylcyclopentyl)methanone
CID 130579748
1-(2,3-Dihydrofuran-4-yl)-2,2-dimethylbutan-1-one
CID 130579778
2,3-Dihydrofuran-4-yl-(2,2-dimethylcyclohexyl)methanone
CID 130579796

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one (CID 130806519) is 1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one is CC(C(=O)C1=COCC1)C(C)(C)C.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one?
The InChIKey is QZYCAZBIZFPHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(11(2,3)4)10(12)9-5-6-13-7-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one?
1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-2,3,3-trimethylbutan-1-one is sourced from PubChem (CID 130806519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).