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

C18H36O4Si — CID 140874836

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CCOC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H36O4Si/c1-8-21-16(19)18(13-14-20-5)11-9-15(10-12-18)22-23(6,7)17(2,3)4/h15H,8-14H2,1-7H3
InChIKeyHOYJGQCYXQPEJC-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.54
Rot. Bonds7

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

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate (PubChem CID 140874836) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate
PubChem CID140874836
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CCOC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H36O4Si/c1-8-21-16(19)18(13-14-20-5)11-9-15(10-12-18)22-23(6,7)17(2,3)4/h15H,8-14H2,1-7H3
InChIKeyHOYJGQCYXQPEJC-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate (CID 140874836) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate is CCOC(=O)C1(CCOC)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate?
The InChIKey is HOYJGQCYXQPEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-8-21-16(19)18(13-14-20-5)11-9-15(10-12-18)22-23(6,7)17(2,3)4/h15H,8-14H2,1-7H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethyl)cyclohexane-1-carboxylate has a molecular weight of 344.57 g/mol, XLogP of 4.54, 7 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-methoxyethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 140874836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).