(5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one

C20H30O2Si — CID 11739024

IUPAC(5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one
SMILESC[C@H]1CC(=O)C(C2CCCCO2)C([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C20H30O2Si/c1-15-13-17(21)20(18-11-7-8-12-22-18)19(14-15)23(2,3)16-9-5-4-6-10-16/h4-6,9-10,15,18-20H,7-8,11-14H2,1-3H3/t15-,18?,19?,20?/m0/s1
InChIKeyAGTCJVJJQYACIH-HFHZODOMSA-N
MW330.54 g/mol
LogP4.16
Rot. Bonds3

About (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one

(5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one (PubChem CID 11739024) has the molecular formula C20H30O2Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name(5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one
PubChem CID11739024
Molecular FormulaC20H30O2Si
Molecular Weight330.54 g/mol
Exact Mass330.20
IUPAC Name(5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one
SMILESC[C@H]1CC(=O)C(C2CCCCO2)C([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C20H30O2Si/c1-15-13-17(21)20(18-11-7-8-12-22-18)19(14-15)23(2,3)16-9-5-4-6-10-16/h4-6,9-10,15,18-20H,7-8,11-14H2,1-3H3/t15-,18?,19?,20?/m0/s1
InChIKeyAGTCJVJJQYACIH-HFHZODOMSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[(1S,2R)-2-methylcyclohexyl]-phenylsilane
CID 11117937
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3,5-dimethylcyclohexan-1-one
CID 64736989
cyclopentyl-dimethyl-phenylsilane
CID 59962320
(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 134901133
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 90726871
trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
CID 13216000
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 64735209
3-(oxan-2-yl)oxiran-2-one
CID 173079645
cyclopentyl-methyl-diphenylsilane
CID 123376620
trimethyl-[oxan-2-yl(diphenyl)silyl]oxysilane
CID 57469192
(3S)-3-[methyl(diphenyl)silyl]cyclopentan-1-one
CID 11129707
dihydroxy-(oxan-2-yl)-phenylsilane
CID 175286326

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one?
The IUPAC name of (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one (CID 11739024) is (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one.
What is the SMILES notation for (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one?
The canonical SMILES for (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one is C[C@H]1CC(=O)C(C2CCCCO2)C([Si](C)(C)c2ccccc2)C1.
What is the InChIKey of (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one?
The InChIKey is AGTCJVJJQYACIH-HFHZODOMSA-N. The full InChI is InChI=1S/C20H30O2Si/c1-15-13-17(21)20(18-11-7-8-12-22-18)19(14-15)23(2,3)16-9-5-4-6-10-16/h4-6,9-10,15,18-20H,7-8,11-14H2,1-3H3/t15-,18?,19?,20?/m0/s1.
What are the key properties of (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one?
(5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one has a molecular weight of 330.54 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-(oxan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 11739024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).