4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one

C12H24OSi — CID 86160625

IUPAC4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)C1CCC(=O)CC1
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)11-8-6-10(13)7-9-11/h11H,6-9H2,1-5H3
InChIKeyGVQJITHVAHMQRL-UHFFFAOYSA-N
MW212.41 g/mol
LogP4.01
Rot. Bonds1

About 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one

4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one (PubChem CID 86160625) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one
PubChem CID86160625
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)C1CCC(=O)CC1
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)11-8-6-10(13)7-9-11/h11H,6-9H2,1-5H3
InChIKeyGVQJITHVAHMQRL-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.01
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

trans-(2R,6R)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one
CID 15339851
4-(Trimethylsilyl)cyclohexanone
CID 4060849
cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one
CID 135055874
(2R)-2-[tert-butyl(dimethyl)silyl]cyclohexan-1-one
CID 11052982
2-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033613
1-[Tert-butyl(dimethyl)silyl]hexan-1-one
CID 15685380
Cyclohexanone, 3-(trimethylsilyl)-
CID 10964964
6-Trimethylsilylhexan-2-one
CID 10080847
2-Trimethylsilylcyclohexan-1-one
CID 12705672
1-Triethylsilyloctan-3-one
CID 10332003
4-Trimethylsilyldecan-5-one
CID 12524697
2-Triethylsilylcyclohexan-1-one
CID 12700723

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one (CID 86160625) is 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one?
The InChIKey is GVQJITHVAHMQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-12(2,3)14(4,5)11-8-6-10(13)7-9-11/h11H,6-9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one?
4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one has a molecular weight of 212.41 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]cyclohexan-1-one is sourced from PubChem (CID 86160625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).