chloro(3,3-dichloropropoxy)silane

C3H7Cl3OSi — CID 173111181

IUPACchloro(3,3-dichloropropoxy)silane
SMILESCl[SiH2]OCCC(Cl)Cl
InChIInChI=1S/C3H7Cl3OSi/c4-3(5)1-2-7-8-6/h3H,1-2,8H2
InChIKeyKYXFSIRZVCZJBX-UHFFFAOYSA-N
MW193.53 g/mol
LogP1.43
Rot. Bonds4

About chloro(3,3-dichloropropoxy)silane

chloro(3,3-dichloropropoxy)silane (PubChem CID 173111181) has the molecular formula C3H7Cl3OSi and a molecular weight of 193.53 g/mol. Its IUPAC name is chloro(3,3-dichloropropoxy)silane.

Molecular Properties

Compound Namechloro(3,3-dichloropropoxy)silane
PubChem CID173111181
Molecular FormulaC3H7Cl3OSi
Molecular Weight193.53 g/mol
Exact Mass191.93
IUPAC Namechloro(3,3-dichloropropoxy)silane
SMILESCl[SiH2]OCCC(Cl)Cl
InChIInChI=1S/C3H7Cl3OSi/c4-3(5)1-2-7-8-6/h3H,1-2,8H2
InChIKeyKYXFSIRZVCZJBX-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.53
LogP ≤ 51.43
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro(3,3-dichloropropoxy)silane?
The IUPAC name of chloro(3,3-dichloropropoxy)silane (CID 173111181) is chloro(3,3-dichloropropoxy)silane.
What is the SMILES notation for chloro(3,3-dichloropropoxy)silane?
The canonical SMILES for chloro(3,3-dichloropropoxy)silane is Cl[SiH2]OCCC(Cl)Cl.
What is the InChIKey of chloro(3,3-dichloropropoxy)silane?
The InChIKey is KYXFSIRZVCZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl3OSi/c4-3(5)1-2-7-8-6/h3H,1-2,8H2.
What are the key properties of chloro(3,3-dichloropropoxy)silane?
chloro(3,3-dichloropropoxy)silane has a molecular weight of 193.53 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(3,3-dichloropropoxy)silane is sourced from PubChem (CID 173111181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).