methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C13H24O4Si — CID 14712061

IUPACmethyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1(C)CCC(O[Si](C)(C)C)=CC1OC
InChIInChI=1S/C13H24O4Si/c1-13(12(14)16-3)8-7-10(9-11(13)15-2)17-18(4,5)6/h9,11H,7-8H2,1-6H3
InChIKeyXLNRKGNZEPSKEF-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.71
Rot. Bonds4

About methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 14712061) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID14712061
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namemethyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1(C)CCC(O[Si](C)(C)C)=CC1OC
InChIInChI=1S/C13H24O4Si/c1-13(12(14)16-3)8-7-10(9-11(13)15-2)17-18(4,5)6/h9,11H,7-8H2,1-6H3
InChIKeyXLNRKGNZEPSKEF-UHFFFAOYSA-N
XLogP2.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.71
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 methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 14712061) is methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is COC(=O)C1(C)CCC(O[Si](C)(C)C)=CC1OC.
What is the InChIKey of methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is XLNRKGNZEPSKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(12(14)16-3)8-7-10(9-11(13)15-2)17-18(4,5)6/h9,11H,7-8H2,1-6H3.
What are the key properties of methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 272.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 14712061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).