3-chloropropoxy(propoxy)silane

C6H15ClO2Si — CID 154510497

IUPAC3-chloropropoxy(propoxy)silane
SMILESCCCO[SiH2]OCCCCl
InChIInChI=1S/C6H15ClO2Si/c1-2-5-8-10-9-6-3-4-7/h2-6,10H2,1H3
InChIKeySLAGEPWZZSAWLC-UHFFFAOYSA-N
MW182.72 g/mol
LogP1.06
Rot. Bonds7

About 3-chloropropoxy(propoxy)silane

3-chloropropoxy(propoxy)silane (PubChem CID 154510497) has the molecular formula C6H15ClO2Si and a molecular weight of 182.72 g/mol. Its IUPAC name is 3-chloropropoxy(propoxy)silane.

Molecular Properties

Compound Name3-chloropropoxy(propoxy)silane
PubChem CID154510497
Molecular FormulaC6H15ClO2Si
Molecular Weight182.72 g/mol
Exact Mass182.05
IUPAC Name3-chloropropoxy(propoxy)silane
SMILESCCCO[SiH2]OCCCCl
InChIInChI=1S/C6H15ClO2Si/c1-2-5-8-10-9-6-3-4-7/h2-6,10H2,1H3
InChIKeySLAGEPWZZSAWLC-UHFFFAOYSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.72
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-chloropropoxy(propoxy)silane?
The IUPAC name of 3-chloropropoxy(propoxy)silane (CID 154510497) is 3-chloropropoxy(propoxy)silane.
What is the SMILES notation for 3-chloropropoxy(propoxy)silane?
The canonical SMILES for 3-chloropropoxy(propoxy)silane is CCCO[SiH2]OCCCCl.
What is the InChIKey of 3-chloropropoxy(propoxy)silane?
The InChIKey is SLAGEPWZZSAWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClO2Si/c1-2-5-8-10-9-6-3-4-7/h2-6,10H2,1H3.
What are the key properties of 3-chloropropoxy(propoxy)silane?
3-chloropropoxy(propoxy)silane has a molecular weight of 182.72 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropoxy(propoxy)silane is sourced from PubChem (CID 154510497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).