trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate

C13H28O3Si2 — CID 533404

IUPACtrimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CCC(O[Si](C)(C)C)CC1
InChIInChI=1S/C13H28O3Si2/c1-17(2,3)15-12-9-7-11(8-10-12)13(14)16-18(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyGKOJEADQXLHCDU-UHFFFAOYSA-N
MW288.54 g/mol
LogP3.77
Rot. Bonds4

About trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate

trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate (PubChem CID 533404) has the molecular formula C13H28O3Si2 and a molecular weight of 288.54 g/mol. Its IUPAC name is trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate
PubChem CID533404
Molecular FormulaC13H28O3Si2
Molecular Weight288.54 g/mol
Exact Mass288.16
IUPAC Nametrimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1CCC(O[Si](C)(C)C)CC1
InChIInChI=1S/C13H28O3Si2/c1-17(2,3)15-12-9-7-11(8-10-12)13(14)16-18(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyGKOJEADQXLHCDU-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-methoxycyclohexane-1-carboxylate
CID 53849879
Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
(1R,3S,4S)-ethyl 4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexanecarboxylate
CID 123410153
4-[Tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylic acid
CID 160305904
Methyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 22167752
Methyl cis-4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 89469074
tert-Butyldimethylsilyl cis-4-hydroxycyclohexanecarboxylate
CID 91697228
trans-4-Hydroxycyclohexanecarboxylic acid, trimethylsilyl ester
CID 91713349
tert-Butyldimethylsilyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 91742243
methyl 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 140518568
Methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 85341340
ethyl (1R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylate
CID 155888592

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate?
The IUPAC name of trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate (CID 533404) is trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate.
What is the SMILES notation for trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate?
The canonical SMILES for trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate is C[Si](C)(C)OC(=O)C1CCC(O[Si](C)(C)C)CC1.
What is the InChIKey of trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate?
The InChIKey is GKOJEADQXLHCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si2/c1-17(2,3)15-12-9-7-11(8-10-12)13(14)16-18(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate?
trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate has a molecular weight of 288.54 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-trimethylsilyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 533404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).