2-chloroethyl-bis(1-methoxyethoxy)-methylsilane

C9H21ClO4Si — CID 88751526

IUPAC2-chloroethyl-bis(1-methoxyethoxy)-methylsilane
SMILESCOC(C)O[Si](C)(CCCl)OC(C)OC
InChIInChI=1S/C9H21ClO4Si/c1-8(11-3)13-15(5,7-6-10)14-9(2)12-4/h8-9H,6-7H2,1-5H3
InChIKeySFIVFJRBXJYVND-UHFFFAOYSA-N
MW256.80 g/mol
LogP2.32
Rot. Bonds8

About 2-chloroethyl-bis(1-methoxyethoxy)-methylsilane

2-chloroethyl-bis(1-methoxyethoxy)-methylsilane (PubChem CID 88751526) has the molecular formula C9H21ClO4Si and a molecular weight of 256.80 g/mol. Its IUPAC name is 2-chloroethyl-bis(1-methoxyethoxy)-methylsilane.

Molecular Properties

Compound Name2-chloroethyl-bis(1-methoxyethoxy)-methylsilane
PubChem CID88751526
Molecular FormulaC9H21ClO4Si
Molecular Weight256.80 g/mol
Exact Mass256.09
IUPAC Name2-chloroethyl-bis(1-methoxyethoxy)-methylsilane
SMILESCOC(C)O[Si](C)(CCCl)OC(C)OC
InChIInChI=1S/C9H21ClO4Si/c1-8(11-3)13-15(5,7-6-10)14-9(2)12-4/h8-9H,6-7H2,1-5H3
InChIKeySFIVFJRBXJYVND-UHFFFAOYSA-N
XLogP2.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 52.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl-bis(1-methoxyethoxy)-methylsilane?
The IUPAC name of 2-chloroethyl-bis(1-methoxyethoxy)-methylsilane (CID 88751526) is 2-chloroethyl-bis(1-methoxyethoxy)-methylsilane.
What is the SMILES notation for 2-chloroethyl-bis(1-methoxyethoxy)-methylsilane?
The canonical SMILES for 2-chloroethyl-bis(1-methoxyethoxy)-methylsilane is COC(C)O[Si](C)(CCCl)OC(C)OC.
What is the InChIKey of 2-chloroethyl-bis(1-methoxyethoxy)-methylsilane?
The InChIKey is SFIVFJRBXJYVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO4Si/c1-8(11-3)13-15(5,7-6-10)14-9(2)12-4/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-chloroethyl-bis(1-methoxyethoxy)-methylsilane?
2-chloroethyl-bis(1-methoxyethoxy)-methylsilane has a molecular weight of 256.80 g/mol, XLogP of 2.32, 8 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)-methylsilane is sourced from PubChem (CID 88751526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).