2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one

C9H12O2 — CID 14200711

IUPAC2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(C)C(C)OC1=O
InChIInChI=1S/C9H12O2/c1-4-5-8-6(2)7(3)11-9(8)10/h4,7H,1,5H2,2-3H3
InChIKeyILWVVPNWINAFCD-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds2

About 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one

2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one (PubChem CID 14200711) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one
PubChem CID14200711
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(C)C(C)OC1=O
InChIInChI=1S/C9H12O2/c1-4-5-8-6(2)7(3)11-9(8)10/h4,7H,1,5H2,2-3H3
InChIKeyILWVVPNWINAFCD-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-prop-2-enylfuran-2,5-dione
CID 22562792
(2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one
CID 54719583
4,5-dihydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one
CID 56631277
2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran
CID 15892524
3-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2H-furan-5-one
CID 145190678
2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one
CID 10922728
4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one
CID 129076880
3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
CID 102181929
3-bromo-5-methylidene-4-prop-2-enylfuran-2-one
CID 69175077
3-octyl-4-prop-2-enylfuran-2,5-dione
CID 71418723
4-prop-2-enyl-1,3-dioxetan-2-one
CID 172773496
2-methoxy-3-prop-2-enylcyclohexa-2,5-diene-1,4-dione
CID 11137685

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one?
The IUPAC name of 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one (CID 14200711) is 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one is C=CCC1=C(C)C(C)OC1=O.
What is the InChIKey of 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one?
The InChIKey is ILWVVPNWINAFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-5-8-6(2)7(3)11-9(8)10/h4,7H,1,5H2,2-3H3.
What are the key properties of 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one?
2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one has a molecular weight of 152.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 14200711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).