ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate

C15H30O4Si — CID 91099817

IUPACethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(COC)CCC(C)(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H30O4Si/c1-7-18-13(16)15(12-17-3)10-8-14(2,9-11-15)19-20(4,5)6/h7-12H2,1-6H3
InChIKeyGNDPCSKOQWECJQ-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.37
Rot. Bonds6

About ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate

ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate (PubChem CID 91099817) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate
PubChem CID91099817
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nameethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(COC)CCC(C)(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H30O4Si/c1-7-18-13(16)15(12-17-3)10-8-14(2,9-11-15)19-20(4,5)6/h7-12H2,1-6H3
InChIKeyGNDPCSKOQWECJQ-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.37
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 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate (CID 91099817) is ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate is CCOC(=O)C1(COC)CCC(C)(O[Si](C)(C)C)CC1.
What is the InChIKey of ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate?
The InChIKey is GNDPCSKOQWECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-7-18-13(16)15(12-17-3)10-8-14(2,9-11-15)19-20(4,5)6/h7-12H2,1-6H3.
What are the key properties of ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate?
ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate has a molecular weight of 302.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methoxymethyl)-4-methyl-4-trimethylsilyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 91099817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).