(3-chloro-2-methylpropyl)-trimethoxysilane

C7H17ClO3Si — CID 15456842

IUPAC(3-chloro-2-methylpropyl)-trimethoxysilane
SMILESCO[Si](CC(C)CCl)(OC)OC
InChIInChI=1S/C7H17ClO3Si/c1-7(5-8)6-12(9-2,10-3)11-4/h7H,5-6H2,1-4H3
InChIKeyARBWSQWFKWFAIW-UHFFFAOYSA-N
MW212.75 g/mol
LogP1.74
Rot. Bonds6

About (3-chloro-2-methylpropyl)-trimethoxysilane

(3-chloro-2-methylpropyl)-trimethoxysilane (PubChem CID 15456842) has the molecular formula C7H17ClO3Si and a molecular weight of 212.75 g/mol. Its IUPAC name is (3-chloro-2-methylpropyl)-trimethoxysilane.

Molecular Properties

Compound Name(3-chloro-2-methylpropyl)-trimethoxysilane
PubChem CID15456842
Molecular FormulaC7H17ClO3Si
Molecular Weight212.75 g/mol
Exact Mass212.06
IUPAC Name(3-chloro-2-methylpropyl)-trimethoxysilane
SMILESCO[Si](CC(C)CCl)(OC)OC
InChIInChI=1S/C7H17ClO3Si/c1-7(5-8)6-12(9-2,10-3)11-4/h7H,5-6H2,1-4H3
InChIKeyARBWSQWFKWFAIW-UHFFFAOYSA-N
XLogP1.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.75
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-chloro-2-methylpropyl)-trimethoxysilane 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-chloro-2-methylpropyl)-trimethoxysilane?
The IUPAC name of (3-chloro-2-methylpropyl)-trimethoxysilane (CID 15456842) is (3-chloro-2-methylpropyl)-trimethoxysilane.
What is the SMILES notation for (3-chloro-2-methylpropyl)-trimethoxysilane?
The canonical SMILES for (3-chloro-2-methylpropyl)-trimethoxysilane is CO[Si](CC(C)CCl)(OC)OC.
What is the InChIKey of (3-chloro-2-methylpropyl)-trimethoxysilane?
The InChIKey is ARBWSQWFKWFAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClO3Si/c1-7(5-8)6-12(9-2,10-3)11-4/h7H,5-6H2,1-4H3.
What are the key properties of (3-chloro-2-methylpropyl)-trimethoxysilane?
(3-chloro-2-methylpropyl)-trimethoxysilane has a molecular weight of 212.75 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylpropyl)-trimethoxysilane is sourced from PubChem (CID 15456842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).