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

C18H34O5Si — CID 142335970

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)COC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O5Si/c1-8-22-16(20)18(15(19)13-21-5)11-9-14(10-12-18)23-24(6,7)17(2,3)4/h14H,8-13H2,1-7H3
InChIKeyWYHOTMZYFJBXJF-UHFFFAOYSA-N
MW358.55 g/mol
LogP3.72
Rot. Bonds7

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

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate (PubChem CID 142335970) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate
PubChem CID142335970
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)COC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H34O5Si/c1-8-22-16(20)18(15(19)13-21-5)11-9-14(10-12-18)23-24(6,7)17(2,3)4/h14H,8-13H2,1-7H3
InChIKeyWYHOTMZYFJBXJF-UHFFFAOYSA-N
XLogP3.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxobutyl)oxan-2-yl]-2-methoxyacetate
CID 25170448
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylate
CID 58231042
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylate
CID 58597177
Diethyl 4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylate
CID 67385150
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate
CID 70261965
ethyl (4R,5S,6S)-7-butoxy-5-[tert-butyl(dimethyl)silyl]oxy-2,2,4,6-tetramethyl-3-oxoheptanoate
CID 89380708
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxopropyl)cyclohexane-1-carboxylate
CID 140874814
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate
CID 140874836
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-propanoylcyclohexane-1-carboxylate
CID 142335976
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-oxoethyl)cyclohexane-1-carboxylate
CID 142335977
(1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde
CID 11366291
Ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3,8,8-trimethyl-7-oxononanoate
CID 15366639

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate (CID 142335970) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate is CCOC(=O)C1(C(=O)COC)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate?
The InChIKey is WYHOTMZYFJBXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-8-22-16(20)18(15(19)13-21-5)11-9-14(10-12-18)23-24(6,7)17(2,3)4/h14H,8-13H2,1-7H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate has a molecular weight of 358.55 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 142335970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).