3,4-dimethyl-5-propan-2-ylidenefuran-2-one

C9H12O2 — CID 135033139

IUPAC3,4-dimethyl-5-propan-2-ylidenefuran-2-one
SMILESCC(C)=C1OC(=O)C(C)=C1C
InChIInChI=1S/C9H12O2/c1-5(2)8-6(3)7(4)9(10)11-8/h1-4H3
InChIKeyGOYGLNCNYHENPZ-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.17
Rot. Bonds

About 3,4-dimethyl-5-propan-2-ylidenefuran-2-one

3,4-dimethyl-5-propan-2-ylidenefuran-2-one (PubChem CID 135033139) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-ylidenefuran-2-one.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-ylidenefuran-2-one
PubChem CID135033139
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name3,4-dimethyl-5-propan-2-ylidenefuran-2-one
SMILESCC(C)=C1OC(=O)C(C)=C1C
InChIInChI=1S/C9H12O2/c1-5(2)8-6(3)7(4)9(10)11-8/h1-4H3
InChIKeyGOYGLNCNYHENPZ-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-ylidenefuran-2-one?
The IUPAC name of 3,4-dimethyl-5-propan-2-ylidenefuran-2-one (CID 135033139) is 3,4-dimethyl-5-propan-2-ylidenefuran-2-one.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-ylidenefuran-2-one?
The canonical SMILES for 3,4-dimethyl-5-propan-2-ylidenefuran-2-one is CC(C)=C1OC(=O)C(C)=C1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-ylidenefuran-2-one?
The InChIKey is GOYGLNCNYHENPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-5(2)8-6(3)7(4)9(10)11-8/h1-4H3.
What are the key properties of 3,4-dimethyl-5-propan-2-ylidenefuran-2-one?
3,4-dimethyl-5-propan-2-ylidenefuran-2-one has a molecular weight of 152.19 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-ylidenefuran-2-one is sourced from PubChem (CID 135033139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).