chloromethyl(propoxy)silane

C4H11ClOSi — CID 154143726

IUPACchloromethyl(propoxy)silane
SMILESCCCO[SiH2]CCl
InChIInChI=1S/C4H11ClOSi/c1-2-3-6-7-4-5/h2-4,7H2,1H3
InChIKeyFIZFZXNUMWYKRM-UHFFFAOYSA-N
MW138.67 g/mol
LogP0.69
Rot. Bonds4

About chloromethyl(propoxy)silane

chloromethyl(propoxy)silane (PubChem CID 154143726) has the molecular formula C4H11ClOSi and a molecular weight of 138.67 g/mol. Its IUPAC name is chloromethyl(propoxy)silane.

Molecular Properties

Compound Namechloromethyl(propoxy)silane
PubChem CID154143726
Molecular FormulaC4H11ClOSi
Molecular Weight138.67 g/mol
Exact Mass138.03
IUPAC Namechloromethyl(propoxy)silane
SMILESCCCO[SiH2]CCl
InChIInChI=1S/C4H11ClOSi/c1-2-3-6-7-4-5/h2-4,7H2,1H3
InChIKeyFIZFZXNUMWYKRM-UHFFFAOYSA-N
XLogP0.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.67
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 chloromethyl(propoxy)silane?
The IUPAC name of chloromethyl(propoxy)silane (CID 154143726) is chloromethyl(propoxy)silane.
What is the SMILES notation for chloromethyl(propoxy)silane?
The canonical SMILES for chloromethyl(propoxy)silane is CCCO[SiH2]CCl.
What is the InChIKey of chloromethyl(propoxy)silane?
The InChIKey is FIZFZXNUMWYKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11ClOSi/c1-2-3-6-7-4-5/h2-4,7H2,1H3.
What are the key properties of chloromethyl(propoxy)silane?
chloromethyl(propoxy)silane has a molecular weight of 138.67 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl(propoxy)silane is sourced from PubChem (CID 154143726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).