3-chlorobutyl-(3-chloropropoxy)-diethoxysilane

C11H24Cl2O3Si — CID 54145229

IUPAC3-chlorobutyl-(3-chloropropoxy)-diethoxysilane
SMILESCCO[Si](CCC(C)Cl)(OCC)OCCCCl
InChIInChI=1S/C11H24Cl2O3Si/c1-4-14-17(15-5-2,10-7-11(3)13)16-9-6-8-12/h11H,4-10H2,1-3H3
InChIKeyODXHKJVZNRQVQK-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.66
Rot. Bonds11

About 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane

3-chlorobutyl-(3-chloropropoxy)-diethoxysilane (PubChem CID 54145229) has the molecular formula C11H24Cl2O3Si and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane.

Molecular Properties

Compound Name3-chlorobutyl-(3-chloropropoxy)-diethoxysilane
PubChem CID54145229
Molecular FormulaC11H24Cl2O3Si
Molecular Weight303.30 g/mol
Exact Mass302.09
IUPAC Name3-chlorobutyl-(3-chloropropoxy)-diethoxysilane
SMILESCCO[Si](CCC(C)Cl)(OCC)OCCCCl
InChIInChI=1S/C11H24Cl2O3Si/c1-4-14-17(15-5-2,10-7-11(3)13)16-9-6-8-12/h11H,4-10H2,1-3H3
InChIKeyODXHKJVZNRQVQK-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-Chloropropyl)triethoxysilane
CID 78771
(3-Chloropropyl)diethoxymethylsilane
CID 83536
Silane, (2-chloroethyl)triethoxy-
CID 87550
(3-Chloropropyl)ethoxydimethylsilane
CID 83538
(3-Chloropropyl)tris(1-methylethoxy)silane
CID 3017246
tert-Butyl(3-chloropropoxy)dimethylsilane
CID 11009160
3-Chloropropyl-ethoxy-dihydroxysilane
CID 100958027
Chlorobutyltriethoxysilane
CID 11831994
Di(4-chlorobutoxy)dimethylsilane
CID 15185643
(2-Chloropropyl)triethoxysilane
CID 21515787
3-Chloropropyl-ethoxy-dimethoxysilane
CID 53672225
Chloro propyl triethoxysilane
CID 87125618

Frequently Asked Questions

What is the IUPAC name of 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane?
The IUPAC name of 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane (CID 54145229) is 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane.
What is the SMILES notation for 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane?
The canonical SMILES for 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane is CCO[Si](CCC(C)Cl)(OCC)OCCCCl.
What is the InChIKey of 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane?
The InChIKey is ODXHKJVZNRQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24Cl2O3Si/c1-4-14-17(15-5-2,10-7-11(3)13)16-9-6-8-12/h11H,4-10H2,1-3H3.
What are the key properties of 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane?
3-chlorobutyl-(3-chloropropoxy)-diethoxysilane has a molecular weight of 303.30 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobutyl-(3-chloropropoxy)-diethoxysilane is sourced from PubChem (CID 54145229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).