2,3-dimethylcyclobutan-1-one

C6H10O — CID 544588

IUPAC2,3-dimethylcyclobutan-1-one
SMILESCC1CC(=O)C1C
InChIInChI=1S/C6H10O/c1-4-3-6(7)5(4)2/h4-5H,3H2,1-2H3
InChIKeyGLVGZXHESDAIMP-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.23
Rot. Bonds

About 2,3-dimethylcyclobutan-1-one

2,3-dimethylcyclobutan-1-one (PubChem CID 544588) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2,3-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name2,3-dimethylcyclobutan-1-one
PubChem CID544588
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2,3-dimethylcyclobutan-1-one
SMILESCC1CC(=O)C1C
InChIInChI=1S/C6H10O/c1-4-3-6(7)5(4)2/h4-5H,3H2,1-2H3
InChIKeyGLVGZXHESDAIMP-UHFFFAOYSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclobutan-1-one?
The IUPAC name of 2,3-dimethylcyclobutan-1-one (CID 544588) is 2,3-dimethylcyclobutan-1-one.
What is the SMILES notation for 2,3-dimethylcyclobutan-1-one?
The canonical SMILES for 2,3-dimethylcyclobutan-1-one is CC1CC(=O)C1C.
What is the InChIKey of 2,3-dimethylcyclobutan-1-one?
The InChIKey is GLVGZXHESDAIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-3-6(7)5(4)2/h4-5H,3H2,1-2H3.
What are the key properties of 2,3-dimethylcyclobutan-1-one?
2,3-dimethylcyclobutan-1-one has a molecular weight of 98.14 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclobutan-1-one is sourced from PubChem (CID 544588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).