1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone

C11H18O — CID 130949680

IUPAC1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@@]1(C)C1CC1(C)C
InChIInChI=1S/C11H18O/c1-7(12)8-5-11(8,4)9-6-10(9,2)3/h8-9H,5-6H2,1-4H3/t8-,9?,11-/m1/s1
InChIKeyVNFLCOZMTOMYSW-RFSSFMFUSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds2

About 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone

1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone (PubChem CID 130949680) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone
PubChem CID130949680
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@@]1(C)C1CC1(C)C
InChIInChI=1S/C11H18O/c1-7(12)8-5-11(8,4)9-6-10(9,2)3/h8-9H,5-6H2,1-4H3/t8-,9?,11-/m1/s1
InChIKeyVNFLCOZMTOMYSW-RFSSFMFUSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,4S)-4-hydrazinyl-2,2-dimethylcyclohexyl]ethanone
CID 118392167
1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
CID 45085861
1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)ethanone
CID 70191080
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone
CID 174915848
1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone
CID 164669308
(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 28875815
1-[(3S)-1-iodo-4,4-dimethylpyrrolidin-3-yl]ethanone
CID 172617514
1-(5-azaspiro[2.3]hexan-2-yl)ethanone
CID 84647837
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
CID 100937333
CID 100937333

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone (CID 130949680) is 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone is CC(=O)[C@H]1C[C@@]1(C)C1CC1(C)C.
What is the InChIKey of 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone?
The InChIKey is VNFLCOZMTOMYSW-RFSSFMFUSA-N. The full InChI is InChI=1S/C11H18O/c1-7(12)8-5-11(8,4)9-6-10(9,2)3/h8-9H,5-6H2,1-4H3/t8-,9?,11-/m1/s1.
What are the key properties of 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone?
1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone has a molecular weight of 166.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(2,2-dimethylcyclopropyl)-2-methylcyclopropyl]ethanone is sourced from PubChem (CID 130949680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).