4-chlorobutyl(trimethoxy)silane

C7H17ClO3Si — CID 15006776

IUPAC4-chlorobutyl(trimethoxy)silane
SMILESCO[Si](CCCCCl)(OC)OC
InChIInChI=1S/C7H17ClO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-7H2,1-3H3
InChIKeyCKEZAUDJDIPPIB-UHFFFAOYSA-N
MW212.75 g/mol
LogP1.88
Rot. Bonds7

About 4-chlorobutyl(trimethoxy)silane

4-chlorobutyl(trimethoxy)silane (PubChem CID 15006776) has the molecular formula C7H17ClO3Si and a molecular weight of 212.75 g/mol. Its IUPAC name is 4-chlorobutyl(trimethoxy)silane.

Molecular Properties

Compound Name4-chlorobutyl(trimethoxy)silane
PubChem CID15006776
Molecular FormulaC7H17ClO3Si
Molecular Weight212.75 g/mol
Exact Mass212.06
IUPAC Name4-chlorobutyl(trimethoxy)silane
SMILESCO[Si](CCCCCl)(OC)OC
InChIInChI=1S/C7H17ClO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-7H2,1-3H3
InChIKeyCKEZAUDJDIPPIB-UHFFFAOYSA-N
XLogP1.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.75
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 4-chlorobutyl(trimethoxy)silane?
The IUPAC name of 4-chlorobutyl(trimethoxy)silane (CID 15006776) is 4-chlorobutyl(trimethoxy)silane.
What is the SMILES notation for 4-chlorobutyl(trimethoxy)silane?
The canonical SMILES for 4-chlorobutyl(trimethoxy)silane is CO[Si](CCCCCl)(OC)OC.
What is the InChIKey of 4-chlorobutyl(trimethoxy)silane?
The InChIKey is CKEZAUDJDIPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-7H2,1-3H3.
What are the key properties of 4-chlorobutyl(trimethoxy)silane?
4-chlorobutyl(trimethoxy)silane has a molecular weight of 212.75 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutyl(trimethoxy)silane is sourced from PubChem (CID 15006776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).