1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol

C12H30O9Si2 — CID 57057803

IUPAC1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol
SMILESCO[Si](CC(O)COCC(O)C[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C12H30O9Si2/c1-15-22(16-2,17-3)9-11(13)7-21-8-12(14)10-23(18-4,19-5)20-6/h11-14H,7-10H2,1-6H3
InChIKeyMXEGUHISXCOHQC-UHFFFAOYSA-N
MW374.54 g/mol
LogP-0.52
Rot. Bonds14

About 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol

1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol (PubChem CID 57057803) has the molecular formula C12H30O9Si2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol
PubChem CID57057803
Molecular FormulaC12H30O9Si2
Molecular Weight374.54 g/mol
Exact Mass374.14
IUPAC Name1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol
SMILESCO[Si](CC(O)COCC(O)C[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C12H30O9Si2/c1-15-22(16-2,17-3)9-11(13)7-21-8-12(14)10-23(18-4,19-5)20-6/h11-14H,7-10H2,1-6H3
InChIKeyMXEGUHISXCOHQC-UHFFFAOYSA-N
XLogP-0.52
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol?
The IUPAC name of 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol (CID 57057803) is 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol.
What is the SMILES notation for 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol?
The canonical SMILES for 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol is CO[Si](CC(O)COCC(O)C[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol?
The InChIKey is MXEGUHISXCOHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O9Si2/c1-15-22(16-2,17-3)9-11(13)7-21-8-12(14)10-23(18-4,19-5)20-6/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol?
1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol has a molecular weight of 374.54 g/mol, XLogP of -0.52, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol is sourced from PubChem (CID 57057803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).