(2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one

C12H24OSi — CID 135049503

IUPAC(2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one
SMILESC[C@H](C(=O)[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C12H24OSi/c1-10(12(13)14(2,3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZCARGBYCNSAHHK-JTQLQIEISA-N
MW212.41 g/mol
LogP3.65
Rot. Bonds3

About (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one

(2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one (PubChem CID 135049503) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one
PubChem CID135049503
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name(2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one
SMILESC[C@H](C(=O)[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C12H24OSi/c1-10(12(13)14(2,3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyZCARGBYCNSAHHK-JTQLQIEISA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, (cyclohexylcarbonyl)trimethyl-
CID 10954223
1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815
Cyclohexanone, 2-[(trimethylsilyl)methyl]-
CID 11989260
2-Methyl-6-(trimethylsilylmethyl)cyclohexan-1-one
CID 14712713
(-)-(R)-4,4-Dimethyl-3-(2-(trimethylsilyl)ethyl)cyclohexanone
CID 57336735
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
2-Cyclohexyl-1-trimethylsilylethanone
CID 11041745
2-Methyl-3-trimethylsilylcyclohexan-1-one
CID 12635911
cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one
CID 12635913
3-Methyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one
CID 13097493
1-Cyclohexyl-3-trimethylsilylpropan-1-one
CID 13225588

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one?
The IUPAC name of (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one (CID 135049503) is (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one.
What is the SMILES notation for (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one?
The canonical SMILES for (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one is C[C@H](C(=O)[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one?
The InChIKey is ZCARGBYCNSAHHK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24OSi/c1-10(12(13)14(2,3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one?
(2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one has a molecular weight of 212.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one is sourced from PubChem (CID 135049503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).