3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane

C11H28O6Si2 — CID 157097284

IUPAC3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane
SMILESCO[SiH](CCCOCCC[Si](OC)(OC)OC)OC
InChIInChI=1S/C11H28O6Si2/c1-12-18(13-2)10-6-8-17-9-7-11-19(14-3,15-4)16-5/h18H,6-11H2,1-5H3
InChIKeyMXHGHIUUJVLKPP-UHFFFAOYSA-N
MW312.51 g/mol
LogP1.17
Rot. Bonds13

About 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane

3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane (PubChem CID 157097284) has the molecular formula C11H28O6Si2 and a molecular weight of 312.51 g/mol. Its IUPAC name is 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane
PubChem CID157097284
Molecular FormulaC11H28O6Si2
Molecular Weight312.51 g/mol
Exact Mass312.14
IUPAC Name3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane
SMILESCO[SiH](CCCOCCC[Si](OC)(OC)OC)OC
InChIInChI=1S/C11H28O6Si2/c1-12-18(13-2)10-6-8-17-9-7-11-19(14-3,15-4)16-5/h18H,6-11H2,1-5H3
InChIKeyMXHGHIUUJVLKPP-UHFFFAOYSA-N
XLogP1.17
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane?
The IUPAC name of 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane (CID 157097284) is 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane.
What is the SMILES notation for 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane?
The canonical SMILES for 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane is CO[SiH](CCCOCCC[Si](OC)(OC)OC)OC.
What is the InChIKey of 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane?
The InChIKey is MXHGHIUUJVLKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28O6Si2/c1-12-18(13-2)10-6-8-17-9-7-11-19(14-3,15-4)16-5/h18H,6-11H2,1-5H3.
What are the key properties of 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane?
3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane has a molecular weight of 312.51 g/mol, XLogP of 1.17, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane is sourced from PubChem (CID 157097284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).