[tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate

C13H26O3Si — CID 91697228

IUPAC[tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CCC(O)CC1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-12(15)10-6-8-11(14)9-7-10/h10-11,14H,6-9H2,1-5H3
InChIKeyXACVVWUUWNYLTL-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.09
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate

[tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate (PubChem CID 91697228) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate
PubChem CID91697228
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name[tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CCC(O)CC1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-12(15)10-6-8-11(14)9-7-10/h10-11,14H,6-9H2,1-5H3
InChIKeyXACVVWUUWNYLTL-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-hydroxycyclohexanecarboxylate
CID 86973
Methyl 4-hydroxycyclohexanecarboxylate
CID 87117
4-Hydroxy-cyclohexanecarboxylic acid butyl ester
CID 70804341
Ethyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
CID 23144129
2-Trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
CID 59001147
(1R,3S,4S)-ethyl 4-((tert-butyldimethylsilyl)oxy)-3-fluorocyclohexanecarboxylate
CID 123410153
4-[Tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 142764539
4-[Tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylic acid
CID 160305904
Trimethylsilyl 4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 533404
Methyl trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexanecarboxylate
CID 22167752
Methyl cis-4-[(trimethylsilyl)oxy]cyclohexanecarboxylate
CID 89469074
trans-4-Hydroxycyclohexanecarboxylic acid, trimethylsilyl ester
CID 91713349

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate (CID 91697228) is [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)C1CCC(O)CC1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate?
The InChIKey is XACVVWUUWNYLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-12(15)10-6-8-11(14)9-7-10/h10-11,14H,6-9H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate?
[tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate has a molecular weight of 258.43 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 91697228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).