ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate

C16H32O3Si — CID 58230906

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C)CCC(O[Si](C)(C)C(C)(C)C)CC1
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
LogP4.52
Rot. Bonds4

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate (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-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate
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(C)CCC(O[Si](C)(C)C(C)(C)C)CC1
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
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate (CID 58230906) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate is CCOC(=O)C1(C)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate?
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-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate has a molecular weight of 300.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 58230906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).