2-(chloromethyl)butyl-(diethoxymethyl)silane

C10H23ClO2Si — CID 123189718

IUPAC2-(chloromethyl)butyl-(diethoxymethyl)silane
SMILESCCOC(OCC)[SiH2]CC(CC)CCl
InChIInChI=1S/C10H23ClO2Si/c1-4-9(7-11)8-14-10(12-5-2)13-6-3/h9-10H,4-8,14H2,1-3H3
InChIKeyQOJJHOLECIYHDM-UHFFFAOYSA-N
MW238.83 g/mol
LogP2.20
Rot. Bonds9

About 2-(chloromethyl)butyl-(diethoxymethyl)silane

2-(chloromethyl)butyl-(diethoxymethyl)silane (PubChem CID 123189718) has the molecular formula C10H23ClO2Si and a molecular weight of 238.83 g/mol. Its IUPAC name is 2-(chloromethyl)butyl-(diethoxymethyl)silane.

Molecular Properties

Compound Name2-(chloromethyl)butyl-(diethoxymethyl)silane
PubChem CID123189718
Molecular FormulaC10H23ClO2Si
Molecular Weight238.83 g/mol
Exact Mass238.12
IUPAC Name2-(chloromethyl)butyl-(diethoxymethyl)silane
SMILESCCOC(OCC)[SiH2]CC(CC)CCl
InChIInChI=1S/C10H23ClO2Si/c1-4-9(7-11)8-14-10(12-5-2)13-6-3/h9-10H,4-8,14H2,1-3H3
InChIKeyQOJJHOLECIYHDM-UHFFFAOYSA-N
XLogP2.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.83
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(chloromethyl)butyl-(diethoxymethyl)silane?
The IUPAC name of 2-(chloromethyl)butyl-(diethoxymethyl)silane (CID 123189718) is 2-(chloromethyl)butyl-(diethoxymethyl)silane.
What is the SMILES notation for 2-(chloromethyl)butyl-(diethoxymethyl)silane?
The canonical SMILES for 2-(chloromethyl)butyl-(diethoxymethyl)silane is CCOC(OCC)[SiH2]CC(CC)CCl.
What is the InChIKey of 2-(chloromethyl)butyl-(diethoxymethyl)silane?
The InChIKey is QOJJHOLECIYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClO2Si/c1-4-9(7-11)8-14-10(12-5-2)13-6-3/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 2-(chloromethyl)butyl-(diethoxymethyl)silane?
2-(chloromethyl)butyl-(diethoxymethyl)silane has a molecular weight of 238.83 g/mol, XLogP of 2.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)butyl-(diethoxymethyl)silane is sourced from PubChem (CID 123189718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).