3-methoxy-2,4-dimethylcyclobut-2-en-1-one

C7H10O2 — CID 130026640

IUPAC3-methoxy-2,4-dimethylcyclobut-2-en-1-one
SMILESCOC1=C(C)C(=O)C1C
InChIInChI=1S/C7H10O2/c1-4-6(8)5(2)7(4)9-3/h4H,1-3H3
InChIKeyIQHMTNOEVQNFIX-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.13
Rot. Bonds1

About 3-methoxy-2,4-dimethylcyclobut-2-en-1-one

3-methoxy-2,4-dimethylcyclobut-2-en-1-one (PubChem CID 130026640) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2,4-dimethylcyclobut-2-en-1-one
PubChem CID130026640
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3-methoxy-2,4-dimethylcyclobut-2-en-1-one
SMILESCOC1=C(C)C(=O)C1C
InChIInChI=1S/C7H10O2/c1-4-6(8)5(2)7(4)9-3/h4H,1-3H3
InChIKeyIQHMTNOEVQNFIX-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclobutenone, 3-hydroxy-2,4-dimethyl-
CID 23423333
3-Ethoxy-2,4-dimethylcyclobut-2-en-1-one
CID 298849
3-Ethoxy-2-methylcyclobut-2-en-1-one
CID 13040708
3-Methoxy-2-methylcyclobut-2-en-1-one
CID 51356375
3-Methoxy-2-methyl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 134877714
3-Butoxy-2,4,4-trimethylcyclobut-2-en-1-one
CID 21919609
2,4-Dimethyl-3-oxocyclobuten-1-olate
CID 23514807
2,4-Dimethyl-3-oxocyclobuten-1-olate
CID 60085871
2-Ethyl-3,5-dimethyl-6-(3-oxopentan-2-yl)pyran-4-one
CID 153333539
6-Ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 10261291
(2,4-Dimethyl-3-oxocyclobuten-1-yl) propanoate
CID 12191011
(4S)-3-ethoxy-2,4-dimethylcyclobut-2-en-1-one
CID 92251218

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethylcyclobut-2-en-1-one?
The IUPAC name of 3-methoxy-2,4-dimethylcyclobut-2-en-1-one (CID 130026640) is 3-methoxy-2,4-dimethylcyclobut-2-en-1-one.
What is the SMILES notation for 3-methoxy-2,4-dimethylcyclobut-2-en-1-one?
The canonical SMILES for 3-methoxy-2,4-dimethylcyclobut-2-en-1-one is COC1=C(C)C(=O)C1C.
What is the InChIKey of 3-methoxy-2,4-dimethylcyclobut-2-en-1-one?
The InChIKey is IQHMTNOEVQNFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-6(8)5(2)7(4)9-3/h4H,1-3H3.
What are the key properties of 3-methoxy-2,4-dimethylcyclobut-2-en-1-one?
3-methoxy-2,4-dimethylcyclobut-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethylcyclobut-2-en-1-one is sourced from PubChem (CID 130026640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).