[3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol

C19H42O7Si2 — CID 176610381

IUPAC[3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol
SMILESCO[Si](CCCC1CC(CO)CC(CCC[Si](OC)(OC)OC)C1)(OC)OC
InChIInChI=1S/C19H42O7Si2/c1-21-27(22-2,23-3)11-7-9-17-13-18(15-19(14-17)16-20)10-8-12-28(24-4,25-5)26-6/h17-20H,7-16H2,1-6H3
InChIKeyAIJKFVQYCFJFLC-UHFFFAOYSA-N
MW438.71 g/mol
LogP3.33
Rot. Bonds15

About [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol

[3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol (PubChem CID 176610381) has the molecular formula C19H42O7Si2 and a molecular weight of 438.71 g/mol. Its IUPAC name is [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol
PubChem CID176610381
Molecular FormulaC19H42O7Si2
Molecular Weight438.71 g/mol
Exact Mass438.25
IUPAC Name[3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol
SMILESCO[Si](CCCC1CC(CO)CC(CCC[Si](OC)(OC)OC)C1)(OC)OC
InChIInChI=1S/C19H42O7Si2/c1-21-27(22-2,23-3)11-7-9-17-13-18(15-19(14-17)16-20)10-8-12-28(24-4,25-5)26-6/h17-20H,7-16H2,1-6H3
InChIKeyAIJKFVQYCFJFLC-UHFFFAOYSA-N
XLogP3.33
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol 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 [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol?
The IUPAC name of [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol (CID 176610381) is [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol.
What is the SMILES notation for [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol?
The canonical SMILES for [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol is CO[Si](CCCC1CC(CO)CC(CCC[Si](OC)(OC)OC)C1)(OC)OC.
What is the InChIKey of [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol?
The InChIKey is AIJKFVQYCFJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O7Si2/c1-21-27(22-2,23-3)11-7-9-17-13-18(15-19(14-17)16-20)10-8-12-28(24-4,25-5)26-6/h17-20H,7-16H2,1-6H3.
What are the key properties of [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol?
[3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol has a molecular weight of 438.71 g/mol, XLogP of 3.33, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(3-trimethoxysilylpropyl)cyclohexyl]methanol is sourced from PubChem (CID 176610381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).