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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Related Compounds

2,3-dimethylcyclobutan-1-one
CID 544588
2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CID 11038
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CID 122598312
(1S,2R,5S)-2-methylbicyclo[3.2.0]heptan-3-one
CID 59077256
2-hydroxy-4,5-dimethylcyclohexan-1-one
CID 91573785
(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one
CID 130993525
3-bromo-4,5-dimethylcyclohex-2-en-1-one
CID 86189490
2-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 88987015
2,2,4,5-tetramethylcyclopentan-1-one
CID 13492787
3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 12622089
3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one
CID 130036833
4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 525916

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).