2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane

C11H23ClO4Si — CID 20537263

IUPAC2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane
SMILESC=CC[Si](CCCl)(OC(C)OC)OC(C)OC
InChIInChI=1S/C11H23ClO4Si/c1-6-8-17(9-7-12,15-10(2)13-4)16-11(3)14-5/h6,10-11H,1,7-9H2,2-5H3
InChIKeyQZEHJQQLBPRZOJ-UHFFFAOYSA-N
MW282.84 g/mol
LogP2.87
Rot. Bonds10

About 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane

2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane (PubChem CID 20537263) has the molecular formula C11H23ClO4Si and a molecular weight of 282.84 g/mol. Its IUPAC name is 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane.

Molecular Properties

Compound Name2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane
PubChem CID20537263
Molecular FormulaC11H23ClO4Si
Molecular Weight282.84 g/mol
Exact Mass282.11
IUPAC Name2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane
SMILESC=CC[Si](CCCl)(OC(C)OC)OC(C)OC
InChIInChI=1S/C11H23ClO4Si/c1-6-8-17(9-7-12,15-10(2)13-4)16-11(3)14-5/h6,10-11H,1,7-9H2,2-5H3
InChIKeyQZEHJQQLBPRZOJ-UHFFFAOYSA-N
XLogP2.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane?
The IUPAC name of 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane (CID 20537263) is 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane.
What is the SMILES notation for 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane?
The canonical SMILES for 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane is C=CC[Si](CCCl)(OC(C)OC)OC(C)OC.
What is the InChIKey of 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane?
The InChIKey is QZEHJQQLBPRZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO4Si/c1-6-8-17(9-7-12,15-10(2)13-4)16-11(3)14-5/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane?
2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane has a molecular weight of 282.84 g/mol, XLogP of 2.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-bis(1-methoxyethoxy)-prop-2-enylsilane is sourced from PubChem (CID 20537263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).