ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate

C17H32O4Si — CID 142335977

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC=O)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H32O4Si/c1-7-20-15(19)17(12-13-18)10-8-14(9-11-17)21-22(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyIESINEAAKJWKRD-UHFFFAOYSA-N
MW328.53 g/mol
LogP4.09
Rot. Bonds6

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate (PubChem CID 142335977) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate
PubChem CID142335977
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC=O)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H32O4Si/c1-7-20-15(19)17(12-13-18)10-8-14(9-11-17)21-22(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyIESINEAAKJWKRD-UHFFFAOYSA-N
XLogP4.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trimethylsilylmethyl 4-(2,2-dimethylbutanoyloxy)cyclohexane-1-carboxylate
CID 57530920
Ethyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexanecarboxylate
CID 58230906
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylate
CID 58231042
8-[Tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxaspiro[4.5]decan-1-one
CID 58292240
Ethyl 4-triisopropylsilyloxycyclohexylcarboxylate
CID 58512387
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate
CID 58597177
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoate
CID 66888031
Diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate
CID 67385150
Methyl 1-ethyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylate
CID 68115554
Ethyl 4-[3,3-dimethylbutanoyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
CID 69136300
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate
CID 70261965
Methyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexane-1-carboxylate
CID 86695195

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate (CID 142335977) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate is CCOC(=O)C1(CC=O)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate?
The InChIKey is IESINEAAKJWKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-7-20-15(19)17(12-13-18)10-8-14(9-11-17)21-22(5,6)16(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate has a molecular weight of 328.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 142335977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).