1-chloroethoxy-diethoxy-methylsilane

C7H17ClO3Si — CID 87125617

IUPAC1-chloroethoxy-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)OC(C)Cl
InChIInChI=1S/C7H17ClO3Si/c1-5-9-12(4,10-6-2)11-7(3)8/h7H,5-6H2,1-4H3
InChIKeyBQHILGLDVPHMLH-UHFFFAOYSA-N
MW212.75 g/mol
LogP2.23
Rot. Bonds6

About 1-chloroethoxy-diethoxy-methylsilane

1-chloroethoxy-diethoxy-methylsilane (PubChem CID 87125617) has the molecular formula C7H17ClO3Si and a molecular weight of 212.75 g/mol. Its IUPAC name is 1-chloroethoxy-diethoxy-methylsilane.

Molecular Properties

Compound Name1-chloroethoxy-diethoxy-methylsilane
PubChem CID87125617
Molecular FormulaC7H17ClO3Si
Molecular Weight212.75 g/mol
Exact Mass212.06
IUPAC Name1-chloroethoxy-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)OC(C)Cl
InChIInChI=1S/C7H17ClO3Si/c1-5-9-12(4,10-6-2)11-7(3)8/h7H,5-6H2,1-4H3
InChIKeyBQHILGLDVPHMLH-UHFFFAOYSA-N
XLogP2.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.75
LogP ≤ 52.23
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'}

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Related Compounds

(3-Chloropropyl)triethoxysilane
CID 78771
Silane, (chloromethyl)triethoxy-
CID 84858
Silane, (2-chloroethyl)triethoxy-
CID 87550
Bis(2-chloroethoxy)dimethylsilane
CID 87468
(2-Chloroethyl)diethoxymethylsilane
CID 22227204
Tris(2-chloroethoxy)methylsilane
CID 81205
Bis(2-chloroethoxy)methylsilane
CID 6335367
Chloromethyldiethoxysilane
CID 14475751
(2-Chloropropyl)triethoxysilane
CID 21515787
3-Chloropropyl-ethoxy-dimethoxysilane
CID 53672225
Chloro propyl triethoxysilane
CID 87125618
Chloro-methylmethyldiethoxysilane
CID 87181296

Frequently Asked Questions

What is the IUPAC name of 1-chloroethoxy-diethoxy-methylsilane?
The IUPAC name of 1-chloroethoxy-diethoxy-methylsilane (CID 87125617) is 1-chloroethoxy-diethoxy-methylsilane.
What is the SMILES notation for 1-chloroethoxy-diethoxy-methylsilane?
The canonical SMILES for 1-chloroethoxy-diethoxy-methylsilane is CCO[Si](C)(OCC)OC(C)Cl.
What is the InChIKey of 1-chloroethoxy-diethoxy-methylsilane?
The InChIKey is BQHILGLDVPHMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClO3Si/c1-5-9-12(4,10-6-2)11-7(3)8/h7H,5-6H2,1-4H3.
What are the key properties of 1-chloroethoxy-diethoxy-methylsilane?
1-chloroethoxy-diethoxy-methylsilane has a molecular weight of 212.75 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethoxy-diethoxy-methylsilane is sourced from PubChem (CID 87125617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).