5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one

C23H30OSi — CID 10066505

IUPAC5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one
SMILESCC1CCC([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C23H30OSi/c1-18-15-16-21(17-22(18)24)25(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-17H2,1-4H3
InChIKeyDQCKHPQMNVQOSZ-UHFFFAOYSA-N
MW350.58 g/mol
LogP4.81
Rot. Bonds3

About 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one

5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one (PubChem CID 10066505) has the molecular formula C23H30OSi and a molecular weight of 350.58 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one
PubChem CID10066505
Molecular FormulaC23H30OSi
Molecular Weight350.58 g/mol
Exact Mass350.21
IUPAC Name5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one
SMILESCC1CCC([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
InChIInChI=1S/C23H30OSi/c1-18-15-16-21(17-22(18)24)25(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-17H2,1-4H3
InChIKeyDQCKHPQMNVQOSZ-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.81
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

4,4-Diphenyl-2-butanone
CID 79421
3-Pentanone, 2,4-dibenzyl-
CID 134446
1,1-Diphenyl-3-pentanone
CID 4189914
2,6-Dibenzylcyclohexan-1-one
CID 98582
2,6-Dibenzylidene-4-methylcyclohexanone
CID 1799215
2,6-Bis(1-phenylethylidene)cyclohexanone
CID 3004411
Cyclohexanone, 4-methyl-2,6-bis(3-phenyl-2-propenylidene)-
CID 3592139
1-[(1R,6R)-4-(4-methylpent-3-enyl)-6-(2-phenylethyl)cyclohex-3-en-1-yl]-3-phenylpropan-1-one
CID 124527033
(2E,6E)-2,6-dibenzylidene-3-methylcyclohexan-1-one
CID 5977578
Benzoyldiphenylmethylsilane
CID 4318748
(E)-4,6-diphenylhex-5-en-2-one
CID 21589916
1-Cyclohexyl-3,3-diphenylpropan-1-one
CID 132557223

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one (CID 10066505) is 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one is CC1CCC([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one?
The InChIKey is DQCKHPQMNVQOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30OSi/c1-18-15-16-21(17-22(18)24)25(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-17H2,1-4H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one?
5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one has a molecular weight of 350.58 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one is sourced from PubChem (CID 10066505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).