(2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one

C18H28O2Si — CID 101020127

IUPAC(2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one
SMILESC[Si](C)(C)CCOC[C@@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C18H28O2Si/c1-21(2,3)14-13-20-15-18(12-8-7-11-17(18)19)16-9-5-4-6-10-16/h4-6,9-10H,7-8,11-15H2,1-3H3/t18-/m1/s1
InChIKeyJPQZGSBYKOTYCV-GOSISDBHSA-N
MW304.51 g/mol
LogP4.42
Rot. Bonds6

About (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one

(2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one (PubChem CID 101020127) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one
PubChem CID101020127
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name(2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one
SMILESC[Si](C)(C)CCOC[C@@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C18H28O2Si/c1-21(2,3)14-13-20-15-18(12-8-7-11-17(18)19)16-9-5-4-6-10-16/h4-6,9-10H,7-8,11-15H2,1-3H3/t18-/m1/s1
InChIKeyJPQZGSBYKOTYCV-GOSISDBHSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one?
The IUPAC name of (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one (CID 101020127) is (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one.
What is the SMILES notation for (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one?
The canonical SMILES for (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one is C[Si](C)(C)CCOC[C@@]1(c2ccccc2)CCCCC1=O.
What is the InChIKey of (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one?
The InChIKey is JPQZGSBYKOTYCV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-21(2,3)14-13-20-15-18(12-8-7-11-17(18)19)16-9-5-4-6-10-16/h4-6,9-10H,7-8,11-15H2,1-3H3/t18-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one?
(2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one has a molecular weight of 304.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one is sourced from PubChem (CID 101020127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).