2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one

C11H20O — CID 121221895

IUPAC2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one
SMILESCC1CC1C(C)C(=O)C(C)(C)C
InChIInChI=1S/C11H20O/c1-7-6-9(7)8(2)10(12)11(3,4)5/h7-9H,6H2,1-5H3
InChIKeyRJJHIJGOGUENDE-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds2

About 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one

2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one (PubChem CID 121221895) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one
PubChem CID121221895
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one
SMILESCC1CC1C(C)C(=O)C(C)(C)C
InChIInChI=1S/C11H20O/c1-7-6-9(7)8(2)10(12)11(3,4)5/h7-9H,6H2,1-5H3
InChIKeyRJJHIJGOGUENDE-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-tert-butylcyclopropyl)propanoic acid
CID 84653839
tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate
CID 21017376
3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 176949294
1-methyl-2-(4-methylpent-3-en-2-yl)cyclopropane
CID 123933645
(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
CID 58242042
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
2-(2,4,6-trimethylcyclohexyl)propanoic acid
CID 54402316
tert-butyl (2R,3S)-2-hydroxy-3-(methylamino)-3-[(1S,2R)-2-methylcyclopropyl]propanoate
CID 58604811
(4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium
CID 163999676
methane;3-methylbutan-2-one;2,2,4-trimethylpentan-3-one
CID 159361320
1-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273893

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one?
The IUPAC name of 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one (CID 121221895) is 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one?
The canonical SMILES for 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one is CC1CC1C(C)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one?
The InChIKey is RJJHIJGOGUENDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-7-6-9(7)8(2)10(12)11(3,4)5/h7-9H,6H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one?
2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one has a molecular weight of 168.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one is sourced from PubChem (CID 121221895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).