trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one

C18H26OSi — CID 134968226

IUPACtrans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one
SMILESC[Si](C)(C)/C=C/C[C@@H]1CCCC(=O)[C@H]1c1ccccc1
InChIInChI=1S/C18H26OSi/c1-20(2,3)14-8-12-16-11-7-13-17(19)18(16)15-9-5-4-6-10-15/h4-6,8-10,14,16,18H,7,11-13H2,1-3H3/b14-8+/t16-,18-/m0/s1
InChIKeyMHWYCKKOQAVAFF-BEMPRJQSSA-N
MW286.49 g/mol
LogP4.96
Rot. Bonds4

About trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one

trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one (PubChem CID 134968226) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one
PubChem CID134968226
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Nametrans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one
SMILESC[Si](C)(C)/C=C/C[C@@H]1CCCC(=O)[C@H]1c1ccccc1
InChIInChI=1S/C18H26OSi/c1-20(2,3)14-8-12-16-11-7-13-17(19)18(16)15-9-5-4-6-10-15/h4-6,8-10,14,16,18H,7,11-13H2,1-3H3/b14-8+/t16-,18-/m0/s1
InChIKeyMHWYCKKOQAVAFF-BEMPRJQSSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.96
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

2,3-diphenylcyclododecane-1,4-dione
CID 101032541
3-hex-1-ynyl-2-phenylcyclohexan-1-one
CID 72778560
trans-(2R,3S)-3-benzyl-2-(4-fluorophenyl)cyclohexan-1-one
CID 164673399
2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one
CID 102369111
tert-butyl N-[(3-oxo-2-phenylcyclohexyl)methyl]carbamate
CID 112757460
tert-butyl N-[[(1S,2R)-3-oxo-2-phenylcyclohexyl]methyl]carbamate
CID 124676163
trans-(2R,3R)-3-butyl-2-(4-methoxyphenyl)cyclohexan-1-one
CID 134968216
trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one
CID 101232144
methyl 2-nitro-2-(3-oxo-2-phenylcyclohexyl)acetate
CID 44721187
cis-(2S,3S)-2-benzyl-3-ethylcyclohexan-1-one
CID 10443310
cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol
CID 14203416
(3aR,7aR)-3-phenyl-5,6,7,7a-tetrahydro-3aH-1,2-benzoxazol-4-one
CID 12708119

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one?
The IUPAC name of trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one (CID 134968226) is trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one.
What is the SMILES notation for trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one?
The canonical SMILES for trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one is C[Si](C)(C)/C=C/C[C@@H]1CCCC(=O)[C@H]1c1ccccc1.
What is the InChIKey of trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one?
The InChIKey is MHWYCKKOQAVAFF-BEMPRJQSSA-N. The full InChI is InChI=1S/C18H26OSi/c1-20(2,3)14-8-12-16-11-7-13-17(19)18(16)15-9-5-4-6-10-15/h4-6,8-10,14,16,18H,7,11-13H2,1-3H3/b14-8+/t16-,18-/m0/s1.
What are the key properties of trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one?
trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one has a molecular weight of 286.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one is sourced from PubChem (CID 134968226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).