(chloromethyl)ethoxysilane

C3H7ClOSi — CID 87878862

IUPAC—
SMILESCCO[Si]CCl
InChIInChI=1S/C3H7ClOSi/c1-2-5-6-3-4/h2-3H2,1H3
InChIKeyPEOJVXXOYZVVEC-UHFFFAOYSA-N
MW122.63 g/mol
LogP0.84
Rot. Bonds3

About (chloromethyl)ethoxysilane

(chloromethyl)ethoxysilane (PubChem CID 87878862) has the molecular formula C3H7ClOSi and a molecular weight of 122.63 g/mol.

Molecular Properties

Compound Name(chloromethyl)ethoxysilane
PubChem CID87878862
Molecular FormulaC3H7ClOSi
Molecular Weight122.63 g/mol
Exact Mass122.00
IUPAC Name—
SMILESCCO[Si]CCl
InChIInChI=1S/C3H7ClOSi/c1-2-5-6-3-4/h2-3H2,1H3
InChIKeyPEOJVXXOYZVVEC-UHFFFAOYSA-N
XLogP0.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.63
LogP ≤ 50.84
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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Related Compounds

n-butylethoxysilane
CID 59515099
CID 88606118
CID 88606118
CID 172561939
CID 172561939
CID 58219179
CID 58219179
CID 156681870
CID 156681870
magnesium;ethyl hypochlorite;hydride
CID 173024675
aluminum chloroethane
CID 22498058
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053
(2-chloro-1-ethoxyethyl)-trimethylsilane
CID 175443672
magnesium;ethyl hypoiodite;hydride
CID 173055853
CID 123430545
CID 123430545
propane;ruthenium
CID 161061794

Frequently Asked Questions

What is the IUPAC name of (chloromethyl)ethoxysilane?
The IUPAC name of (chloromethyl)ethoxysilane (CID 87878862) is not available.
What is the SMILES notation for (chloromethyl)ethoxysilane?
The canonical SMILES for (chloromethyl)ethoxysilane is CCO[Si]CCl.
What is the InChIKey of (chloromethyl)ethoxysilane?
The InChIKey is PEOJVXXOYZVVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClOSi/c1-2-5-6-3-4/h2-3H2,1H3.
What are the key properties of (chloromethyl)ethoxysilane?
(chloromethyl)ethoxysilane has a molecular weight of 122.63 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (chloromethyl)ethoxysilane is sourced from PubChem (CID 87878862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).