bis(3-chloropropoxy)-methylsilane

C7H16Cl2O2Si — CID 123374857

IUPACbis(3-chloropropoxy)-methylsilane
SMILESC[SiH](OCCCCl)OCCCCl
InChIInChI=1S/C7H16Cl2O2Si/c1-12(10-6-2-4-8)11-7-3-5-9/h12H,2-7H2,1H3
InChIKeyBEBBDLMJLAGPCK-UHFFFAOYSA-N
MW231.19 g/mol
LogP2.13
Rot. Bonds8

About bis(3-chloropropoxy)-methylsilane

bis(3-chloropropoxy)-methylsilane (PubChem CID 123374857) has the molecular formula C7H16Cl2O2Si and a molecular weight of 231.19 g/mol. Its IUPAC name is bis(3-chloropropoxy)-methylsilane.

Molecular Properties

Compound Namebis(3-chloropropoxy)-methylsilane
PubChem CID123374857
Molecular FormulaC7H16Cl2O2Si
Molecular Weight231.19 g/mol
Exact Mass230.03
IUPAC Namebis(3-chloropropoxy)-methylsilane
SMILESC[SiH](OCCCCl)OCCCCl
InChIInChI=1S/C7H16Cl2O2Si/c1-12(10-6-2-4-8)11-7-3-5-9/h12H,2-7H2,1H3
InChIKeyBEBBDLMJLAGPCK-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 52.13
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 bis(3-chloropropoxy)-methylsilane?
The IUPAC name of bis(3-chloropropoxy)-methylsilane (CID 123374857) is bis(3-chloropropoxy)-methylsilane.
What is the SMILES notation for bis(3-chloropropoxy)-methylsilane?
The canonical SMILES for bis(3-chloropropoxy)-methylsilane is C[SiH](OCCCCl)OCCCCl.
What is the InChIKey of bis(3-chloropropoxy)-methylsilane?
The InChIKey is BEBBDLMJLAGPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl2O2Si/c1-12(10-6-2-4-8)11-7-3-5-9/h12H,2-7H2,1H3.
What are the key properties of bis(3-chloropropoxy)-methylsilane?
bis(3-chloropropoxy)-methylsilane has a molecular weight of 231.19 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloropropoxy)-methylsilane is sourced from PubChem (CID 123374857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).