ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate

C16H32O3Si — CID 141338567

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-18-14(17)13-11-9-10-12-16(13,5)19-20(6,7)15(2,3)4/h13H,8-12H2,1-7H3
InChIKeyMVQZSLTUNOJBNA-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.52
Rot. Bonds4

About ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate (PubChem CID 141338567) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate
PubChem CID141338567
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-18-14(17)13-11-9-10-12-16(13,5)19-20(6,7)15(2,3)4/h13H,8-12H2,1-7H3
InChIKeyMVQZSLTUNOJBNA-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'}

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Related Compounds

Tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate
CID 175965326
methyl (3R)-3-cyclohexyl-3-trimethylsilyloxypropanoate
CID 10967187
Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxycyclohexyl]acetate
CID 122374939
Methyl (R)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990780
Methyl (S)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990803
ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylpentanoate
CID 145865791
2-Trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
CID 59599000
Methyl 2-[tert-butyl(dimethyl)silyl]oxy-5-ethylcyclohexane-1-carboxylate
CID 68110454
Ethyl 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanoate
CID 68153772
trans-2-trimethylsilylethyl (1R,2R)-2-methylcyclohexane-1-carboxylate
CID 86601789
Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 140784094
Ethyl 2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
CID 141638087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate (CID 141338567) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate is CCOC(=O)C1CCCCC1(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate?
The InChIKey is MVQZSLTUNOJBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-18-14(17)13-11-9-10-12-16(13,5)19-20(6,7)15(2,3)4/h13H,8-12H2,1-7H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-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 2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 141338567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).