4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one

C9H16O — CID 134971339

IUPAC4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
SMILESCC(=O)CC[C@@H]1CC1(C)C
InChIInChI=1S/C9H16O/c1-7(10)4-5-8-6-9(8,2)3/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyQKHSSIOIOFLTQX-MRVPVSSYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds3

About 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one

4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one (PubChem CID 134971339) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one.

Molecular Properties

Compound Name4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
PubChem CID134971339
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
SMILESCC(=O)CC[C@@H]1CC1(C)C
InChIInChI=1S/C9H16O/c1-7(10)4-5-8-6-9(8,2)3/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyQKHSSIOIOFLTQX-MRVPVSSYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one
CID 85389566
5-[(1R)-2,2-dimethylcyclopropyl]-3-methylpent-2-enal
CID 91455150
5-[(1S)-2,2-dimethylcyclopropyl]-3-methylpent-2-enal
CID 91491670
methyl 9-(2,2-dimethylcyclopropyl)-3,7-dimethylnona-2,6-dienoate
CID 85059476
4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one
CID 84666482
4-(3,3-difluorocyclobutyl)butan-2-one
CID 130963893
5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enenitrile
CID 66918198
2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane
CID 162349015
4-[(1R,3S)-3-(bromomethyl)-2,2-dimethylcyclopropyl]butan-2-one
CID 125492862
4-[(4R,5R)-2,2-dimethyl-5-(3-oxobutyl)-1,3-dioxolan-4-yl]butan-2-one
CID 25198005
4-[(1S,5S)-5-tert-butyl-2,2-dimethylcyclopentyl]butan-2-one
CID 102363621
4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-one
CID 66790486

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one?
The IUPAC name of 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one (CID 134971339) is 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one.
What is the SMILES notation for 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one?
The canonical SMILES for 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one is CC(=O)CC[C@@H]1CC1(C)C.
What is the InChIKey of 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one?
The InChIKey is QKHSSIOIOFLTQX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(10)4-5-8-6-9(8,2)3/h8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one?
4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one has a molecular weight of 140.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one is sourced from PubChem (CID 134971339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).