4-methyl-5-propan-2-ylfuran-3-one

C8H12O2 — CID 51354983

IUPAC4-methyl-5-propan-2-ylfuran-3-one
SMILESCC1=C(C(C)C)OCC1=O
InChIInChI=1S/C8H12O2/c1-5(2)8-6(3)7(9)4-10-8/h5H,4H2,1-3H3
InChIKeyOWTLLNAFLIPUQA-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds1

About 4-methyl-5-propan-2-ylfuran-3-one

4-methyl-5-propan-2-ylfuran-3-one (PubChem CID 51354983) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-methyl-5-propan-2-ylfuran-3-one.

Molecular Properties

Compound Name4-methyl-5-propan-2-ylfuran-3-one
PubChem CID51354983
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-methyl-5-propan-2-ylfuran-3-one
SMILESCC1=C(C(C)C)OCC1=O
InChIInChI=1S/C8H12O2/c1-5(2)8-6(3)7(9)4-10-8/h5H,4H2,1-3H3
InChIKeyOWTLLNAFLIPUQA-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-methyl-6-propan-2-yl-2H-pyran
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bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol
CID 90923692
5-bromo-6-methyl-2,3-dihydropyran-4-one
CID 10774061
3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
CID 160955139
5,6-dihydro-4H-furo[2,3-b]pyran-3-one
CID 86087524
2,3-di(propan-2-yl)cyclopent-2-en-1-one
CID 18551295
5-methyl-4-(methyldisulfanyl)furan-3-one
CID 87342861
6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one
CID 170037521
4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-one
CID 163140528
4,5-dimethyl-6-propan-2-yl-4H-1,3-dioxin-2-one
CID 69478140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-ylfuran-3-one?
The IUPAC name of 4-methyl-5-propan-2-ylfuran-3-one (CID 51354983) is 4-methyl-5-propan-2-ylfuran-3-one.
What is the SMILES notation for 4-methyl-5-propan-2-ylfuran-3-one?
The canonical SMILES for 4-methyl-5-propan-2-ylfuran-3-one is CC1=C(C(C)C)OCC1=O.
What is the InChIKey of 4-methyl-5-propan-2-ylfuran-3-one?
The InChIKey is OWTLLNAFLIPUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5(2)8-6(3)7(9)4-10-8/h5H,4H2,1-3H3.
What are the key properties of 4-methyl-5-propan-2-ylfuran-3-one?
4-methyl-5-propan-2-ylfuran-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-ylfuran-3-one is sourced from PubChem (CID 51354983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).