2-chloroethoxymethylsilane

C3H9ClOSi — CID 71349699

IUPAC2-chloroethoxymethylsilane
SMILES[SiH3]COCCCl
InChIInChI=1S/C3H9ClOSi/c4-1-2-5-3-6/h1-3H2,6H3
InChIKeyNPCIVWVCFUUYLX-UHFFFAOYSA-N
MW124.64 g/mol
LogP-0.44
Rot. Bonds3

About 2-chloroethoxymethylsilane

2-chloroethoxymethylsilane (PubChem CID 71349699) has the molecular formula C3H9ClOSi and a molecular weight of 124.64 g/mol. Its IUPAC name is 2-chloroethoxymethylsilane.

Molecular Properties

Compound Name2-chloroethoxymethylsilane
PubChem CID71349699
Molecular FormulaC3H9ClOSi
Molecular Weight124.64 g/mol
Exact Mass124.01
IUPAC Name2-chloroethoxymethylsilane
SMILES[SiH3]COCCCl
InChIInChI=1S/C3H9ClOSi/c4-1-2-5-3-6/h1-3H2,6H3
InChIKeyNPCIVWVCFUUYLX-UHFFFAOYSA-N
XLogP-0.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.64
LogP ≤ 5-0.44
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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Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxymethylsilane?
The IUPAC name of 2-chloroethoxymethylsilane (CID 71349699) is 2-chloroethoxymethylsilane.
What is the SMILES notation for 2-chloroethoxymethylsilane?
The canonical SMILES for 2-chloroethoxymethylsilane is [SiH3]COCCCl.
What is the InChIKey of 2-chloroethoxymethylsilane?
The InChIKey is NPCIVWVCFUUYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClOSi/c4-1-2-5-3-6/h1-3H2,6H3.
What are the key properties of 2-chloroethoxymethylsilane?
2-chloroethoxymethylsilane has a molecular weight of 124.64 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxymethylsilane is sourced from PubChem (CID 71349699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).