4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane

C9H20Cl2O2Si — CID 150062868

IUPAC4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane
SMILESCO[Si](C)(CCCCl)OCCCCCl
InChIInChI=1S/C9H20Cl2O2Si/c1-12-14(2,9-5-7-11)13-8-4-3-6-10/h3-9H2,1-2H3
InChIKeyDNQUOCFFGPUBJI-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.37
Rot. Bonds9

About 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane

4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane (PubChem CID 150062868) has the molecular formula C9H20Cl2O2Si and a molecular weight of 259.25 g/mol. Its IUPAC name is 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane.

Molecular Properties

Compound Name4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane
PubChem CID150062868
Molecular FormulaC9H20Cl2O2Si
Molecular Weight259.25 g/mol
Exact Mass258.06
IUPAC Name4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane
SMILESCO[Si](C)(CCCCl)OCCCCCl
InChIInChI=1S/C9H20Cl2O2Si/c1-12-14(2,9-5-7-11)13-8-4-3-6-10/h3-9H2,1-2H3
InChIKeyDNQUOCFFGPUBJI-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane?
The IUPAC name of 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane (CID 150062868) is 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane.
What is the SMILES notation for 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane?
The canonical SMILES for 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane is CO[Si](C)(CCCCl)OCCCCCl.
What is the InChIKey of 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane?
The InChIKey is DNQUOCFFGPUBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20Cl2O2Si/c1-12-14(2,9-5-7-11)13-8-4-3-6-10/h3-9H2,1-2H3.
What are the key properties of 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane?
4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane has a molecular weight of 259.25 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutoxy-(3-chloropropyl)-methoxy-methylsilane is sourced from PubChem (CID 150062868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).