3-chloropropyl-ethyl-dimethoxysilane

C7H17ClO2Si — CID 15006777

IUPAC3-chloropropyl-ethyl-dimethoxysilane
SMILESCC[Si](CCCCl)(OC)OC
InChIInChI=1S/C7H17ClO2Si/c1-4-11(9-2,10-3)7-5-6-8/h4-7H2,1-3H3
InChIKeyPSHXXWFZFWEZTB-UHFFFAOYSA-N
MW196.75 g/mol
LogP2.37
Rot. Bonds6

About 3-chloropropyl-ethyl-dimethoxysilane

3-chloropropyl-ethyl-dimethoxysilane (PubChem CID 15006777) has the molecular formula C7H17ClO2Si and a molecular weight of 196.75 g/mol. Its IUPAC name is 3-chloropropyl-ethyl-dimethoxysilane.

Molecular Properties

Compound Name3-chloropropyl-ethyl-dimethoxysilane
PubChem CID15006777
Molecular FormulaC7H17ClO2Si
Molecular Weight196.75 g/mol
Exact Mass196.07
IUPAC Name3-chloropropyl-ethyl-dimethoxysilane
SMILESCC[Si](CCCCl)(OC)OC
InChIInChI=1S/C7H17ClO2Si/c1-4-11(9-2,10-3)7-5-6-8/h4-7H2,1-3H3
InChIKeyPSHXXWFZFWEZTB-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.75
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-chloropropyl-ethyl-dimethoxysilane?
The IUPAC name of 3-chloropropyl-ethyl-dimethoxysilane (CID 15006777) is 3-chloropropyl-ethyl-dimethoxysilane.
What is the SMILES notation for 3-chloropropyl-ethyl-dimethoxysilane?
The canonical SMILES for 3-chloropropyl-ethyl-dimethoxysilane is CC[Si](CCCCl)(OC)OC.
What is the InChIKey of 3-chloropropyl-ethyl-dimethoxysilane?
The InChIKey is PSHXXWFZFWEZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClO2Si/c1-4-11(9-2,10-3)7-5-6-8/h4-7H2,1-3H3.
What are the key properties of 3-chloropropyl-ethyl-dimethoxysilane?
3-chloropropyl-ethyl-dimethoxysilane has a molecular weight of 196.75 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-ethyl-dimethoxysilane is sourced from PubChem (CID 15006777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).