3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one

C18H34O2Si — CID 122214306

IUPAC3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one
SMILESCC[Si](CC)(CC)OC1(C2CCCC(=O)C2)CCCCC1
InChIInChI=1S/C18H34O2Si/c1-4-21(5-2,6-3)20-18(13-8-7-9-14-18)16-11-10-12-17(19)15-16/h16H,4-15H2,1-3H3
InChIKeyJYPNBPMJHYKMER-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.47
Rot. Bonds6

About 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one

3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one (PubChem CID 122214306) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one
PubChem CID122214306
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one
SMILESCC[Si](CC)(CC)OC1(C2CCCC(=O)C2)CCCCC1
InChIInChI=1S/C18H34O2Si/c1-4-21(5-2,6-3)20-18(13-8-7-9-14-18)16-11-10-12-17(19)15-16/h16H,4-15H2,1-3H3
InChIKeyJYPNBPMJHYKMER-UHFFFAOYSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.47
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

(3S)-3-[(2R,3R)-3,7-dimethyl-7-triethylsilyloxyoctan-2-yl]-3-methylcyclohexan-1-one
CID 10738709
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
3-(1-Trimethylsilyloxycyclohexyl)cyclohexan-1-one
CID 122214305
3-[1-[Tert-butyl(dimethyl)silyl]oxy-1-methyl-ethyl]cyclohexanone
CID 122214308
1,2-Dicyclohexyl-1-trimethylsilyloxypentan-3-one
CID 134838782
4-Cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
CID 134838817
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylpentan-3-one
CID 135050235
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
CID 135076388
2-Tert-butylperoxy-1-cyclohexyl-2-methyl-3-triethylsilylpropan-1-one
CID 154712306
CID 164684546
CID 164684546
5-(2-Hydroxy-1-methylethyl)-2-methylcyclohexanone, TBDMS derivative
CID 614805

Frequently Asked Questions

What is the IUPAC name of 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one?
The IUPAC name of 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one (CID 122214306) is 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one.
What is the SMILES notation for 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one?
The canonical SMILES for 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one is CC[Si](CC)(CC)OC1(C2CCCC(=O)C2)CCCCC1.
What is the InChIKey of 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one?
The InChIKey is JYPNBPMJHYKMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-4-21(5-2,6-3)20-18(13-8-7-9-14-18)16-11-10-12-17(19)15-16/h16H,4-15H2,1-3H3.
What are the key properties of 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one?
3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-triethylsilyloxycyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 122214306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).