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

C11H20O3Si — CID 15101119

IUPACmethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C11H20O3Si/c1-13-11(12)9-5-7-10(8-6-9)14-15(2,3)4/h7,9H,5-6,8H2,1-4H3
InChIKeyGGFUSABDVCCTMD-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.69
Rot. Bonds3

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

methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 15101119) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID15101119
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namemethyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C11H20O3Si/c1-13-11(12)9-5-7-10(8-6-9)14-15(2,3)4/h7,9H,5-6,8H2,1-4H3
InChIKeyGGFUSABDVCCTMD-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.69
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 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 15101119) is methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is COC(=O)C1CC=C(O[Si](C)(C)C)CC1.
What is the InChIKey of methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is GGFUSABDVCCTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-13-11(12)9-5-7-10(8-6-9)14-15(2,3)4/h7,9H,5-6,8H2,1-4H3.
What are the key properties of methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 228.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 15101119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).