butyl(dichloromethoxy)silane

C5H12Cl2OSi — CID 154282226

IUPACbutyl(dichloromethoxy)silane
SMILESCCCC[SiH2]OC(Cl)Cl
InChIInChI=1S/C5H12Cl2OSi/c1-2-3-4-9-8-5(6)7/h5H,2-4,9H2,1H3
InChIKeyBFXXAFHPVMQZTP-UHFFFAOYSA-N
MW187.14 g/mol
LogP2.07
Rot. Bonds5

About butyl(dichloromethoxy)silane

butyl(dichloromethoxy)silane (PubChem CID 154282226) has the molecular formula C5H12Cl2OSi and a molecular weight of 187.14 g/mol. Its IUPAC name is butyl(dichloromethoxy)silane.

Molecular Properties

Compound Namebutyl(dichloromethoxy)silane
PubChem CID154282226
Molecular FormulaC5H12Cl2OSi
Molecular Weight187.14 g/mol
Exact Mass186.00
IUPAC Namebutyl(dichloromethoxy)silane
SMILESCCCC[SiH2]OC(Cl)Cl
InChIInChI=1S/C5H12Cl2OSi/c1-2-3-4-9-8-5(6)7/h5H,2-4,9H2,1H3
InChIKeyBFXXAFHPVMQZTP-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 52.07
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 butyl(dichloromethoxy)silane?
The IUPAC name of butyl(dichloromethoxy)silane (CID 154282226) is butyl(dichloromethoxy)silane.
What is the SMILES notation for butyl(dichloromethoxy)silane?
The canonical SMILES for butyl(dichloromethoxy)silane is CCCC[SiH2]OC(Cl)Cl.
What is the InChIKey of butyl(dichloromethoxy)silane?
The InChIKey is BFXXAFHPVMQZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2OSi/c1-2-3-4-9-8-5(6)7/h5H,2-4,9H2,1H3.
What are the key properties of butyl(dichloromethoxy)silane?
butyl(dichloromethoxy)silane has a molecular weight of 187.14 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(dichloromethoxy)silane is sourced from PubChem (CID 154282226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).