2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

C13H22O — CID 114973953

IUPAC2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC1(C)C(C(=O)CC2CCC2)C1(C)C
InChIInChI=1S/C13H22O/c1-12(2)11(13(12,3)4)10(14)8-9-6-5-7-9/h9,11H,5-8H2,1-4H3
InChIKeyJWIJSWHIUWZXIU-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.43
Rot. Bonds3

About 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (PubChem CID 114973953) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
PubChem CID114973953
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC1(C)C(C(=O)CC2CCC2)C1(C)C
InChIInChI=1S/C13H22O/c1-12(2)11(13(12,3)4)10(14)8-9-6-5-7-9/h9,11H,5-8H2,1-4H3
InChIKeyJWIJSWHIUWZXIU-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
CID 114978161
1-cyclohexadecylpropan-2-one
CID 175123721
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597
1-(2-aminocyclopentyl)-2-cyclopentylethanone
CID 116580222
1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone
CID 114973977
2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
CID 103167882
2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone
CID 114974057
2-cyclobutylacetyl chloride
CID 14326266
2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954
2-cyclobutyl-N-methylacetamide
CID 57296172
2-cyclobutyl-1-(thiolan-2-yl)ethanone
CID 80621574
1-(cyclobutylmethylamino)propan-2-one
CID 115234815

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (CID 114973953) is 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is CC1(C)C(C(=O)CC2CCC2)C1(C)C.
What is the InChIKey of 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The InChIKey is JWIJSWHIUWZXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-12(2)11(13(12,3)4)10(14)8-9-6-5-7-9/h9,11H,5-8H2,1-4H3.
What are the key properties of 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone has a molecular weight of 194.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is sourced from PubChem (CID 114973953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).