trimethoxy(trimethoxysilylmethyl)silane

C14H40O12Si4 — CID 158921647

IUPACtrimethoxy(trimethoxysilylmethyl)silane
SMILESCO[Si](C[Si](OC)(OC)OC)(OC)OC.CO[Si](C[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/2C7H20O6Si2/c2*1-8-14(9-2,10-3)7-15(11-4,12-5)13-6/h2*7H2,1-6H3
InChIKeyJHXGGQLOVVBRMV-UHFFFAOYSA-N
MW512.81 g/mol
LogP0.56
Rot. Bonds16

About trimethoxy(trimethoxysilylmethyl)silane

trimethoxy(trimethoxysilylmethyl)silane (PubChem CID 158921647) has the molecular formula C14H40O12Si4 and a molecular weight of 512.81 g/mol. Its IUPAC name is trimethoxy(trimethoxysilylmethyl)silane.

Molecular Properties

Compound Nametrimethoxy(trimethoxysilylmethyl)silane
PubChem CID158921647
Molecular FormulaC14H40O12Si4
Molecular Weight512.81 g/mol
Exact Mass512.16
IUPAC Nametrimethoxy(trimethoxysilylmethyl)silane
SMILESCO[Si](C[Si](OC)(OC)OC)(OC)OC.CO[Si](C[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/2C7H20O6Si2/c2*1-8-14(9-2,10-3)7-15(11-4,12-5)13-6/h2*7H2,1-6H3
InChIKeyJHXGGQLOVVBRMV-UHFFFAOYSA-N
XLogP0.56
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms30
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.81
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 trimethoxy(trimethoxysilylmethyl)silane?
The IUPAC name of trimethoxy(trimethoxysilylmethyl)silane (CID 158921647) is trimethoxy(trimethoxysilylmethyl)silane.
What is the SMILES notation for trimethoxy(trimethoxysilylmethyl)silane?
The canonical SMILES for trimethoxy(trimethoxysilylmethyl)silane is CO[Si](C[Si](OC)(OC)OC)(OC)OC.CO[Si](C[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of trimethoxy(trimethoxysilylmethyl)silane?
The InChIKey is JHXGGQLOVVBRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H20O6Si2/c2*1-8-14(9-2,10-3)7-15(11-4,12-5)13-6/h2*7H2,1-6H3.
What are the key properties of trimethoxy(trimethoxysilylmethyl)silane?
trimethoxy(trimethoxysilylmethyl)silane has a molecular weight of 512.81 g/mol, XLogP of 0.56, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(trimethoxysilylmethyl)silane is sourced from PubChem (CID 158921647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).