bis(1-chloropropoxy)silane

C6H14Cl2O2Si — CID 123696543

IUPACbis(1-chloropropoxy)silane
SMILESCCC(Cl)O[SiH2]OC(Cl)CC
InChIInChI=1S/C6H14Cl2O2Si/c1-3-5(7)9-11-10-6(8)4-2/h5-6H,3-4,11H2,1-2H3
InChIKeyAMCUSBGLBSZVKF-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.97
Rot. Bonds6

About bis(1-chloropropoxy)silane

bis(1-chloropropoxy)silane (PubChem CID 123696543) has the molecular formula C6H14Cl2O2Si and a molecular weight of 217.17 g/mol. Its IUPAC name is bis(1-chloropropoxy)silane.

Molecular Properties

Compound Namebis(1-chloropropoxy)silane
PubChem CID123696543
Molecular FormulaC6H14Cl2O2Si
Molecular Weight217.17 g/mol
Exact Mass216.01
IUPAC Namebis(1-chloropropoxy)silane
SMILESCCC(Cl)O[SiH2]OC(Cl)CC
InChIInChI=1S/C6H14Cl2O2Si/c1-3-5(7)9-11-10-6(8)4-2/h5-6H,3-4,11H2,1-2H3
InChIKeyAMCUSBGLBSZVKF-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.97
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'}

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Related Compounds

gamma-Chloromethyl triethoxysilane
CID 87438747
3-(Chloropropyl)trimethoxysilane
CID 129832096
3-Cloropropyltrimethoxysilan
CID 129831727
3-Chloropropyl trimethyl silicate
CID 87069699
Bis(1-chloroethoxy)silane
CID 123183734
Bis(3-chloropropoxy)-methylsilane
CID 123374857
Tris(2-chloropropoxy)silane
CID 123451578
1-Chloropropoxysilane
CID 123834424
3-Chloropropoxy(diethoxy)silane
CID 123885341
Tris(1-chloropropoxy)silane
CID 123979185
Chloro-(4-chlorobutoxy)-dimethoxysilane
CID 141372343
Bis(3-chloropropoxy)-dihydroxysilane
CID 141398755

Frequently Asked Questions

What is the IUPAC name of bis(1-chloropropoxy)silane?
The IUPAC name of bis(1-chloropropoxy)silane (CID 123696543) is bis(1-chloropropoxy)silane.
What is the SMILES notation for bis(1-chloropropoxy)silane?
The canonical SMILES for bis(1-chloropropoxy)silane is CCC(Cl)O[SiH2]OC(Cl)CC.
What is the InChIKey of bis(1-chloropropoxy)silane?
The InChIKey is AMCUSBGLBSZVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2O2Si/c1-3-5(7)9-11-10-6(8)4-2/h5-6H,3-4,11H2,1-2H3.
What are the key properties of bis(1-chloropropoxy)silane?
bis(1-chloropropoxy)silane has a molecular weight of 217.17 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloropropoxy)silane is sourced from PubChem (CID 123696543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).