Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate

C16H32O3Si — CID 58230906

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CCC(CC1)O[Si](C)(C)C(C)(C)C)C
InChIInChI=1S/C16H32O3Si/c1-8-18-14(17)16(5)11-9-13(10-12-16)19-20(6,7)15(2,3)4/h13H,8-12H2,1-7H3
InChIKeyNRBYAIZPMBCNBW-UHFFFAOYSA-N
MW300.51 g/mol
LogP—
Rot. Bonds6

About Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate

Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate (PubChem CID 58230906) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound NameEthyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate
PubChem CID58230906
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CCC(CC1)O[Si](C)(C)C(C)(C)C)C
InChIInChI=1S/C16H32O3Si/c1-8-18-14(17)16(5)11-9-13(10-12-16)19-20(6,7)15(2,3)4/h13H,8-12H2,1-7H3
InChIKeyNRBYAIZPMBCNBW-UHFFFAOYSA-N
XLogP—
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity336

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate?
The IUPAC name of Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate (CID 58230906) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate?
The canonical SMILES for Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate is CCOC(=O)C1(CCC(CC1)O[Si](C)(C)C(C)(C)C)C.
What is the InChIKey of Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate?
The InChIKey is NRBYAIZPMBCNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-18-14(17)16(5)11-9-13(10-12-16)19-20(6,7)15(2,3)4/h13H,8-12H2,1-7H3.
What are the key properties of Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate?
Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate has a molecular weight of 300.51 g/mol, XLogP of not available, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate is sourced from PubChem (CID 58230906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).