trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate

C19H42O5Si4 — CID 609197

IUPACtrimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1=CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1
InChIInChI=1S/C19H42O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13,16-18H,14H2,1-12H3
InChIKeyLMFAUEGOCMAFIW-UHFFFAOYSA-N
MW462.88 g/mol
LogP5.35
Rot. Bonds8

About trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate

trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate (PubChem CID 609197) has the molecular formula C19H42O5Si4 and a molecular weight of 462.88 g/mol. Its IUPAC name is trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate
PubChem CID609197
Molecular FormulaC19H42O5Si4
Molecular Weight462.88 g/mol
Exact Mass462.21
IUPAC Nametrimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1=CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1
InChIInChI=1S/C19H42O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13,16-18H,14H2,1-12H3
InChIKeyLMFAUEGOCMAFIW-UHFFFAOYSA-N
XLogP5.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.88
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate?
The IUPAC name of trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate (CID 609197) is trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate.
What is the SMILES notation for trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate?
The canonical SMILES for trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate is C[Si](C)(C)OC(=O)C1=CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1.
What is the InChIKey of trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate?
The InChIKey is LMFAUEGOCMAFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13,16-18H,14H2,1-12H3.
What are the key properties of trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate?
trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate has a molecular weight of 462.88 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate is sourced from PubChem (CID 609197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).