cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one

C10H20OSi — CID 12635913

IUPACcis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one
SMILESC[C@@H]1C(=O)CCC[C@H]1[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-8-9(11)6-5-7-10(8)12(2,3)4/h8,10H,5-7H2,1-4H3/t8-,10-/m1/s1
InChIKeyVHMHPHNLPFHUAQ-PSASIEDQSA-N
MW184.35 g/mol
LogP3.08
Rot. Bonds1

About cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one

cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one (PubChem CID 12635913) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one
PubChem CID12635913
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Namecis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one
SMILESC[C@@H]1C(=O)CCC[C@H]1[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-8-9(11)6-5-7-10(8)12(2,3)4/h8,10H,5-7H2,1-4H3/t8-,10-/m1/s1
InChIKeyVHMHPHNLPFHUAQ-PSASIEDQSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
1-Cyclohexyl-3-trimethylsilylprop-2-yn-1-one
CID 11020104
3-(2-Trimethylsilylethynyl)cyclohexan-1-one
CID 12430168
(-)-(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
(3R)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 11194896

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one?
The IUPAC name of cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one (CID 12635913) is cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one.
What is the SMILES notation for cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one?
The canonical SMILES for cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one is C[C@@H]1C(=O)CCC[C@H]1[Si](C)(C)C.
What is the InChIKey of cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one?
The InChIKey is VHMHPHNLPFHUAQ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H20OSi/c1-8-9(11)6-5-7-10(8)12(2,3)4/h8,10H,5-7H2,1-4H3/t8-,10-/m1/s1.
What are the key properties of cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one?
cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one has a molecular weight of 184.35 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one is sourced from PubChem (CID 12635913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).