2,2-dichloroethoxy(ethyl)silane

C4H10Cl2OSi — CID 150096671

IUPAC2,2-dichloroethoxy(ethyl)silane
SMILESCC[SiH2]OCC(Cl)Cl
InChIInChI=1S/C4H10Cl2OSi/c1-2-8-7-3-4(5)6/h4H,2-3,8H2,1H3
InChIKeyDUJNNFXQOLIALJ-UHFFFAOYSA-N
MW173.11 g/mol
LogP1.33
Rot. Bonds4

About 2,2-dichloroethoxy(ethyl)silane

2,2-dichloroethoxy(ethyl)silane (PubChem CID 150096671) has the molecular formula C4H10Cl2OSi and a molecular weight of 173.11 g/mol. Its IUPAC name is 2,2-dichloroethoxy(ethyl)silane.

Molecular Properties

Compound Name2,2-dichloroethoxy(ethyl)silane
PubChem CID150096671
Molecular FormulaC4H10Cl2OSi
Molecular Weight173.11 g/mol
Exact Mass171.99
IUPAC Name2,2-dichloroethoxy(ethyl)silane
SMILESCC[SiH2]OCC(Cl)Cl
InChIInChI=1S/C4H10Cl2OSi/c1-2-8-7-3-4(5)6/h4H,2-3,8H2,1H3
InChIKeyDUJNNFXQOLIALJ-UHFFFAOYSA-N
XLogP1.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 51.33
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 2,2-dichloroethoxy(ethyl)silane?
The IUPAC name of 2,2-dichloroethoxy(ethyl)silane (CID 150096671) is 2,2-dichloroethoxy(ethyl)silane.
What is the SMILES notation for 2,2-dichloroethoxy(ethyl)silane?
The canonical SMILES for 2,2-dichloroethoxy(ethyl)silane is CC[SiH2]OCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethoxy(ethyl)silane?
The InChIKey is DUJNNFXQOLIALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl2OSi/c1-2-8-7-3-4(5)6/h4H,2-3,8H2,1H3.
What are the key properties of 2,2-dichloroethoxy(ethyl)silane?
2,2-dichloroethoxy(ethyl)silane has a molecular weight of 173.11 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethoxy(ethyl)silane is sourced from PubChem (CID 150096671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).