4-tert-butyl-2-dimethylsilylcyclohexan-1-one

C12H24OSi — CID 152781213

IUPAC4-tert-butyl-2-dimethylsilylcyclohexan-1-one
SMILESC[SiH](C)C1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C12H24OSi/c1-12(2,3)9-6-7-10(13)11(8-9)14(4)5/h9,11,14H,6-8H2,1-5H3
InChIKeyOBTVDTZTYNGGNR-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.26
Rot. Bonds1

About 4-tert-butyl-2-dimethylsilylcyclohexan-1-one

4-tert-butyl-2-dimethylsilylcyclohexan-1-one (PubChem CID 152781213) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 4-tert-butyl-2-dimethylsilylcyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-dimethylsilylcyclohexan-1-one
PubChem CID152781213
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name4-tert-butyl-2-dimethylsilylcyclohexan-1-one
SMILESC[SiH](C)C1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C12H24OSi/c1-12(2,3)9-6-7-10(13)11(8-9)14(4)5/h9,11,14H,6-8H2,1-5H3
InChIKeyOBTVDTZTYNGGNR-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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-tert-Butylcyclohexanone
CID 7392
1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815
(-)-(R)-4,4-Dimethyl-3-(2-(trimethylsilyl)ethyl)cyclohexanone
CID 57336735
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
1-Cyclohexyl-3-triethylsilylpropan-1-one
CID 10445048
1-Cyclohexyl-3-trimethylsilylpropan-1-one
CID 13225588
1-[6-(Trimethylsilylmethyl)-7-bicyclo[4.2.0]octanyl]ethanone
CID 15074443
(3R)-3-(2-methylpropyl)-3-(2-trimethylsilylethynyl)cyclohexan-1-one
CID 52921058
4-Tert-butyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 75040801
trans-(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-propan-2-ylcyclohexan-1-one
CID 101831608
trans-(2S,3R)-2,3-dimethyl-2-(3-oxo-2-trimethylsilylbutyl)cyclohexan-1-one
CID 134889730
(2S)-2-cyclohexyl-1-trimethylsilylpropan-1-one
CID 135049503

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-dimethylsilylcyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-dimethylsilylcyclohexan-1-one (CID 152781213) is 4-tert-butyl-2-dimethylsilylcyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-dimethylsilylcyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-dimethylsilylcyclohexan-1-one is C[SiH](C)C1CC(C(C)(C)C)CCC1=O.
What is the InChIKey of 4-tert-butyl-2-dimethylsilylcyclohexan-1-one?
The InChIKey is OBTVDTZTYNGGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-12(2,3)9-6-7-10(13)11(8-9)14(4)5/h9,11,14H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-2-dimethylsilylcyclohexan-1-one?
4-tert-butyl-2-dimethylsilylcyclohexan-1-one has a molecular weight of 212.41 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-dimethylsilylcyclohexan-1-one is sourced from PubChem (CID 152781213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).