3-chloromethyltrimethoxysilane

C4H10ClO3Si — CID 88788085

IUPAC—
SMILESCO[Si](OC)OCCCl
InChIInChI=1S/C4H10ClO3Si/c1-6-9(7-2)8-4-3-5/h3-4H2,1-2H3
InChIKeyZWXORKVTNURLSU-UHFFFAOYSA-N
MW169.66 g/mol
LogP0.52
Rot. Bonds5

About 3-chloromethyltrimethoxysilane

3-chloromethyltrimethoxysilane (PubChem CID 88788085) has the molecular formula C4H10ClO3Si and a molecular weight of 169.66 g/mol.

Molecular Properties

Compound Name3-chloromethyltrimethoxysilane
PubChem CID88788085
Molecular FormulaC4H10ClO3Si
Molecular Weight169.66 g/mol
Exact Mass169.01
IUPAC Name—
SMILESCO[Si](OC)OCCCl
InChIInChI=1S/C4H10ClO3Si/c1-6-9(7-2)8-4-3-5/h3-4H2,1-2H3
InChIKeyZWXORKVTNURLSU-UHFFFAOYSA-N
XLogP0.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 50.52
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

Silane, tris(2-chloroethoxy)-
CID 6328155
CID 24993
CID 24993
Tris(2-chloroethoxy)methylsilane
CID 81205
Bis(2-chloroethoxy)methylsilane
CID 6335367
3-(Chloropropyl)trimethoxysilane
CID 129832096
3-Chloroethyltrimethoxysilane
CID 129817417
1-Chloro-2-ethylperoxyethane
CID 21963719
Bis(2-chloroethoxy)-oxosilane
CID 53690555
Bis(1-chloroethoxy)silane
CID 123183734
2-Chloroethoxy-(chloromethyl)-dimethoxysilane
CID 139664134
1-Chloroethoxy-diethoxy-hydroxysilane
CID 140731408
Ethoxy-ethyl-methoxy-lambda3-chlorane
CID 148546574

Frequently Asked Questions

What is the IUPAC name of 3-chloromethyltrimethoxysilane?
The IUPAC name of 3-chloromethyltrimethoxysilane (CID 88788085) is not available.
What is the SMILES notation for 3-chloromethyltrimethoxysilane?
The canonical SMILES for 3-chloromethyltrimethoxysilane is CO[Si](OC)OCCCl.
What is the InChIKey of 3-chloromethyltrimethoxysilane?
The InChIKey is ZWXORKVTNURLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClO3Si/c1-6-9(7-2)8-4-3-5/h3-4H2,1-2H3.
What are the key properties of 3-chloromethyltrimethoxysilane?
3-chloromethyltrimethoxysilane has a molecular weight of 169.66 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloromethyltrimethoxysilane is sourced from PubChem (CID 88788085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).