2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane

C8H16Cl2O3Si — CID 175473369

IUPAC2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane
SMILESCCCOC([SiH2]OCC(Cl)Cl)C1CO1
InChIInChI=1S/C8H16Cl2O3Si/c1-2-3-11-8(6-4-12-6)14-13-5-7(9)10/h6-8H,2-5,14H2,1H3
InChIKeyPDZNTFNTXVLJFB-UHFFFAOYSA-N
MW259.20 g/mol
LogP1.04
Rot. Bonds8

About 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane

2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane (PubChem CID 175473369) has the molecular formula C8H16Cl2O3Si and a molecular weight of 259.20 g/mol. Its IUPAC name is 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane.

Molecular Properties

Compound Name2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane
PubChem CID175473369
Molecular FormulaC8H16Cl2O3Si
Molecular Weight259.20 g/mol
Exact Mass258.02
IUPAC Name2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane
SMILESCCCOC([SiH2]OCC(Cl)Cl)C1CO1
InChIInChI=1S/C8H16Cl2O3Si/c1-2-3-11-8(6-4-12-6)14-13-5-7(9)10/h6-8H,2-5,14H2,1H3
InChIKeyPDZNTFNTXVLJFB-UHFFFAOYSA-N
XLogP1.04
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane?
The IUPAC name of 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane (CID 175473369) is 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane.
What is the SMILES notation for 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane?
The canonical SMILES for 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane is CCCOC([SiH2]OCC(Cl)Cl)C1CO1.
What is the InChIKey of 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane?
The InChIKey is PDZNTFNTXVLJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O3Si/c1-2-3-11-8(6-4-12-6)14-13-5-7(9)10/h6-8H,2-5,14H2,1H3.
What are the key properties of 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane?
2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane has a molecular weight of 259.20 g/mol, XLogP of 1.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethoxy-[oxiran-2-yl(propoxy)methyl]silane is sourced from PubChem (CID 175473369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).