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

C15H30O3Si2 — CID 12726658

IUPACmethyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1(C)CCC(O[Si](C)(C)C)=CC1[Si](C)(C)C
InChIInChI=1S/C15H30O3Si2/c1-15(14(16)17-2)10-9-12(18-20(6,7)8)11-13(15)19(3,4)5/h11,13H,9-10H2,1-8H3
InChIKeyGSIKDFSDTGICCS-UHFFFAOYSA-N
MW314.57 g/mol
LogP4.40
Rot. Bonds4

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

methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 12726658) has the molecular formula C15H30O3Si2 and a molecular weight of 314.57 g/mol. Its IUPAC name is methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID12726658
Molecular FormulaC15H30O3Si2
Molecular Weight314.57 g/mol
Exact Mass314.17
IUPAC Namemethyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1(C)CCC(O[Si](C)(C)C)=CC1[Si](C)(C)C
InChIInChI=1S/C15H30O3Si2/c1-15(14(16)17-2)10-9-12(18-20(6,7)8)11-13(15)19(3,4)5/h11,13H,9-10H2,1-8H3
InChIKeyGSIKDFSDTGICCS-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 12726658) is methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is COC(=O)C1(C)CCC(O[Si](C)(C)C)=CC1[Si](C)(C)C.
What is the InChIKey of methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is GSIKDFSDTGICCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si2/c1-15(14(16)17-2)10-9-12(18-20(6,7)8)11-13(15)19(3,4)5/h11,13H,9-10H2,1-8H3.
What are the key properties of methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 314.57 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-trimethylsilyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 12726658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).