3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one

C13H24O — CID 114968974

IUPAC3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one
SMILESCCC(C)CC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H24O/c1-7-9(2)8-10(14)11-12(3,4)13(11,5)6/h9,11H,7-8H2,1-6H3
InChIKeyUJSIBXDMKPPIEC-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds4

About 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one

3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one (PubChem CID 114968974) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one
PubChem CID114968974
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one
SMILESCCC(C)CC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H24O/c1-7-9(2)8-10(14)11-12(3,4)13(11,5)6/h9,11H,7-8H2,1-6H3
InChIKeyUJSIBXDMKPPIEC-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676
3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one
CID 65424663
(3S)-3-methyl-N-oxopentanamide
CID 174497955
3-methyl-1-(oxan-4-yl)pentan-1-one
CID 65328998
1-(4-aminocyclohexyl)-3-methylpentan-1-one
CID 116557256
(5R)-5-methylheptan-3-one
CID 6566014
1-methoxy-4-methylhexan-2-one
CID 62619896
3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 65330399
carbonic acid;3-methylpentane
CID 173481374
ethyl (3R)-3-methylpentanoate
CID 7567160
1-cyclopropyl-1-hydroxy-4-methylhexan-2-one
CID 103455899
1-(cyclopentylamino)-4-methylhexan-2-one
CID 116558992

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one?
The IUPAC name of 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one (CID 114968974) is 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one.
What is the SMILES notation for 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one?
The canonical SMILES for 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one is CCC(C)CC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one?
The InChIKey is UJSIBXDMKPPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-7-9(2)8-10(14)11-12(3,4)13(11,5)6/h9,11H,7-8H2,1-6H3.
What are the key properties of 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one?
3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one is sourced from PubChem (CID 114968974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).