trimethyl 4-trimethoxysilylbut-3-ynyl silicate

C10H22O7Si2 — CID 139977972

IUPACtrimethyl 4-trimethoxysilylbut-3-ynyl silicate
SMILESCO[Si](C#CCCO[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C10H22O7Si2/c1-11-18(12-2,13-3)10-8-7-9-17-19(14-4,15-5)16-6/h7,9H2,1-6H3
InChIKeyAHOGSCXTZITTKK-UHFFFAOYSA-N
MW310.45 g/mol
LogP0.19
Rot. Bonds9

About trimethyl 4-trimethoxysilylbut-3-ynyl silicate

trimethyl 4-trimethoxysilylbut-3-ynyl silicate (PubChem CID 139977972) has the molecular formula C10H22O7Si2 and a molecular weight of 310.45 g/mol. Its IUPAC name is trimethyl 4-trimethoxysilylbut-3-ynyl silicate.

Molecular Properties

Compound Nametrimethyl 4-trimethoxysilylbut-3-ynyl silicate
PubChem CID139977972
Molecular FormulaC10H22O7Si2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Nametrimethyl 4-trimethoxysilylbut-3-ynyl silicate
SMILESCO[Si](C#CCCO[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C10H22O7Si2/c1-11-18(12-2,13-3)10-8-7-9-17-19(14-4,15-5)16-6/h7,9H2,1-6H3
InChIKeyAHOGSCXTZITTKK-UHFFFAOYSA-N
XLogP0.19
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl 4-trimethoxysilylbut-3-ynyl silicate?
The IUPAC name of trimethyl 4-trimethoxysilylbut-3-ynyl silicate (CID 139977972) is trimethyl 4-trimethoxysilylbut-3-ynyl silicate.
What is the SMILES notation for trimethyl 4-trimethoxysilylbut-3-ynyl silicate?
The canonical SMILES for trimethyl 4-trimethoxysilylbut-3-ynyl silicate is CO[Si](C#CCCO[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of trimethyl 4-trimethoxysilylbut-3-ynyl silicate?
The InChIKey is AHOGSCXTZITTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7Si2/c1-11-18(12-2,13-3)10-8-7-9-17-19(14-4,15-5)16-6/h7,9H2,1-6H3.
What are the key properties of trimethyl 4-trimethoxysilylbut-3-ynyl silicate?
trimethyl 4-trimethoxysilylbut-3-ynyl silicate has a molecular weight of 310.45 g/mol, XLogP of 0.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 4-trimethoxysilylbut-3-ynyl silicate is sourced from PubChem (CID 139977972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).