[1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate

C29H84O12Si13 — CID 123372510

IUPAC[1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate
SMILESC[Si](C)(C)O[Si](OC([SiH3])=C(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H84O12Si13/c1-43(2,3)33-52(34-44(4,5)6,35-45(7,8)9)30-28(31-53(36-46(10,11)12,37-47(13,14)15)38-48(16,17)18)29(42)32-54(39-49(19,20)21,40-50(22,23)24)41-51(25,26)27/h1-27,42H3
InChIKeyPMMRFOXAHLOVFX-UHFFFAOYSA-N
MW990.10 g/mol
LogP9.50
Rot. Bonds24

About [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate

[1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate (PubChem CID 123372510) has the molecular formula C29H84O12Si13 and a molecular weight of 990.10 g/mol. Its IUPAC name is [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate.

Molecular Properties

Compound Name[1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate
PubChem CID123372510
Molecular FormulaC29H84O12Si13
Molecular Weight990.10 g/mol
Exact Mass988.30
IUPAC Name[1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate
SMILESC[Si](C)(C)O[Si](OC([SiH3])=C(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C29H84O12Si13/c1-43(2,3)33-52(34-44(4,5)6,35-45(7,8)9)30-28(31-53(36-46(10,11)12,37-47(13,14)15)38-48(16,17)18)29(42)32-54(39-49(19,20)21,40-50(22,23)24)41-51(25,26)27/h1-27,42H3
InChIKeyPMMRFOXAHLOVFX-UHFFFAOYSA-N
XLogP9.50
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.10
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate?
The IUPAC name of [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate (CID 123372510) is [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate.
What is the SMILES notation for [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate?
The canonical SMILES for [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate is C[Si](C)(C)O[Si](OC([SiH3])=C(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate?
The InChIKey is PMMRFOXAHLOVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H84O12Si13/c1-43(2,3)33-52(34-44(4,5)6,35-45(7,8)9)30-28(31-53(36-46(10,11)12,37-47(13,14)15)38-48(16,17)18)29(42)32-54(39-49(19,20)21,40-50(22,23)24)41-51(25,26)27/h1-27,42H3.
What are the key properties of [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate?
[1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate has a molecular weight of 990.10 g/mol, XLogP of 9.50, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [1-silyl-2,2-bis[tris(trimethylsilyloxy)silyloxy]ethenyl] tris(trimethylsilyl) silicate is sourced from PubChem (CID 123372510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).