cis-(2R,3S)-2,3-dimethylcyclobutan-1-one

C6H10O — CID 22213570

IUPACcis-(2R,3S)-2,3-dimethylcyclobutan-1-one
SMILESC[C@H]1CC(=O)[C@@H]1C
InChIInChI=1S/C6H10O/c1-4-3-6(7)5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyGLVGZXHESDAIMP-CRCLSJGQSA-N
MW98.14 g/mol
LogP1.23
Rot. Bonds

About cis-(2R,3S)-2,3-dimethylcyclobutan-1-one

cis-(2R,3S)-2,3-dimethylcyclobutan-1-one (PubChem CID 22213570) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is cis-(2R,3S)-2,3-dimethylcyclobutan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-2,3-dimethylcyclobutan-1-one
PubChem CID22213570
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Namecis-(2R,3S)-2,3-dimethylcyclobutan-1-one
SMILESC[C@H]1CC(=O)[C@@H]1C
InChIInChI=1S/C6H10O/c1-4-3-6(7)5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyGLVGZXHESDAIMP-CRCLSJGQSA-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 cis-(2R,3S)-2,3-dimethylcyclobutan-1-one?
The IUPAC name of cis-(2R,3S)-2,3-dimethylcyclobutan-1-one (CID 22213570) is cis-(2R,3S)-2,3-dimethylcyclobutan-1-one.
What is the SMILES notation for cis-(2R,3S)-2,3-dimethylcyclobutan-1-one?
The canonical SMILES for cis-(2R,3S)-2,3-dimethylcyclobutan-1-one is C[C@H]1CC(=O)[C@@H]1C.
What is the InChIKey of cis-(2R,3S)-2,3-dimethylcyclobutan-1-one?
The InChIKey is GLVGZXHESDAIMP-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10O/c1-4-3-6(7)5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of cis-(2R,3S)-2,3-dimethylcyclobutan-1-one?
cis-(2R,3S)-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 cis-(2R,3S)-2,3-dimethylcyclobutan-1-one is sourced from PubChem (CID 22213570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).