2-(2-methylpropyl)furan-3-one

C8H12O2 — CID 139707457

IUPAC2-(2-methylpropyl)furan-3-one
SMILESCC(C)CC1OC=CC1=O
InChIInChI=1S/C8H12O2/c1-6(2)5-8-7(9)3-4-10-8/h3-4,6,8H,5H2,1-2H3
InChIKeyJBVKRUMXYVSQPV-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds2

About 2-(2-methylpropyl)furan-3-one

2-(2-methylpropyl)furan-3-one (PubChem CID 139707457) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(2-methylpropyl)furan-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)furan-3-one
PubChem CID139707457
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(2-methylpropyl)furan-3-one
SMILESCC(C)CC1OC=CC1=O
InChIInChI=1S/C8H12O2/c1-6(2)5-8-7(9)3-4-10-8/h3-4,6,8H,5H2,1-2H3
InChIKeyJBVKRUMXYVSQPV-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetyl-4-methyl-3,4-dihydropyran
CID 134158646
3-Ethoxy-2-propan-2-yl-2,3-dihydropyran-4-one
CID 338814
2-(2-Methylpropyl)pyran-3,4-dione
CID 21397322
2-Propan-2-ylpyran-3,4-dione
CID 21397330
2-Methyl-2-propylfuran-3-one
CID 134497670
2-Propylfuran-3-one
CID 139707456
2-Methyl-2-(2-methylprop-2-enyl)furan-3-one
CID 140287324
2-(2,2-Dimethylpropanoyl)furan-3-one
CID 141165299
2-Tert-butylfuran-3-one
CID 144798087
1-[(2R,3R)-3-methyloxolan-2-yl]prop-2-en-1-one
CID 166096101
1-[(2R,3R)-3-ethyloxolan-2-yl]prop-2-en-1-one
CID 175638910
Ethanone, 1-[2,3-dihydro-3-(1-methylethyl)-2-furanyl]-
CID 12501909

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)furan-3-one?
The IUPAC name of 2-(2-methylpropyl)furan-3-one (CID 139707457) is 2-(2-methylpropyl)furan-3-one.
What is the SMILES notation for 2-(2-methylpropyl)furan-3-one?
The canonical SMILES for 2-(2-methylpropyl)furan-3-one is CC(C)CC1OC=CC1=O.
What is the InChIKey of 2-(2-methylpropyl)furan-3-one?
The InChIKey is JBVKRUMXYVSQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)5-8-7(9)3-4-10-8/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)furan-3-one?
2-(2-methylpropyl)furan-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)furan-3-one is sourced from PubChem (CID 139707457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).