1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one

C9H16O — CID 90129359

IUPAC1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@H]1CC1(C)C
InChIInChI=1S/C9H16O/c1-6(2)8(10)7-5-9(7,3)4/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeySMYNEUWTVWXOAG-SSDOTTSWSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds2

About 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one

1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one (PubChem CID 90129359) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one
PubChem CID90129359
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@H]1CC1(C)C
InChIInChI=1S/C9H16O/c1-6(2)8(10)7-5-9(7,3)4/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeySMYNEUWTVWXOAG-SSDOTTSWSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2,2-dimethylcyclopropyl)-2-methylpropane-1,3-dione
CID 165483919
1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one
CID 130704815
propan-2-yl 2,2-dimethylcyclopropane-1-carboxylate
CID 22239176
(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 28875815
1-(3,3-difluorocyclobutyl)-2-methylpropan-1-one
CID 58812212
(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 107000447
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide
CID 131065377
(2S,3S)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylpentanoic acid
CID 106703216
methyl 2-(2,2-dimethylcyclopropanecarbonyl)hexanoate
CID 107925571
N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103838536

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one?
The IUPAC name of 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one (CID 90129359) is 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one is CC(C)C(=O)[C@H]1CC1(C)C.
What is the InChIKey of 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one?
The InChIKey is SMYNEUWTVWXOAG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16O/c1-6(2)8(10)7-5-9(7,3)4/h6-7H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one?
1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-dimethylcyclopropyl]-2-methylpropan-1-one is sourced from PubChem (CID 90129359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).