bis(3-chloropropoxy)-ethylsilane

C8H18Cl2O2Si — CID 123750468

IUPACbis(3-chloropropoxy)-ethylsilane
SMILESCC[SiH](OCCCCl)OCCCCl
InChIInChI=1S/C8H18Cl2O2Si/c1-2-13(11-7-3-5-9)12-8-4-6-10/h13H,2-8H2,1H3
InChIKeyUOKLUMKBAARFDE-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.52
Rot. Bonds9

About bis(3-chloropropoxy)-ethylsilane

bis(3-chloropropoxy)-ethylsilane (PubChem CID 123750468) has the molecular formula C8H18Cl2O2Si and a molecular weight of 245.22 g/mol. Its IUPAC name is bis(3-chloropropoxy)-ethylsilane.

Molecular Properties

Compound Namebis(3-chloropropoxy)-ethylsilane
PubChem CID123750468
Molecular FormulaC8H18Cl2O2Si
Molecular Weight245.22 g/mol
Exact Mass244.05
IUPAC Namebis(3-chloropropoxy)-ethylsilane
SMILESCC[SiH](OCCCCl)OCCCCl
InChIInChI=1S/C8H18Cl2O2Si/c1-2-13(11-7-3-5-9)12-8-4-6-10/h13H,2-8H2,1H3
InChIKeyUOKLUMKBAARFDE-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.52
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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Related Compounds

(3-Chloropropyl)triethoxysilane
CID 78771
(3-Chloropropyl)diethoxymethylsilane
CID 83536
Silane, (2-chloroethyl)triethoxy-
CID 87550
(3-Chloropropyl)tris(1-methylethoxy)silane
CID 3017246
Chlorobutyltriethoxysilane
CID 11831994
(2-Chloropropyl)triethoxysilane
CID 21515787
3-Chloropropyl-ethoxy-dimethoxysilane
CID 53672225
Chloro propyl triethoxysilane
CID 87125618
3,3-Dichloro-propyltriethoxysilane
CID 129764093
Chlorobutylmethyldiethoxysilane
CID 129818990
1-Chloropropyl(triethoxy)silane
CID 3015478
(3-Chloropropyl)tripropoxysilane
CID 3017244

Frequently Asked Questions

What is the IUPAC name of bis(3-chloropropoxy)-ethylsilane?
The IUPAC name of bis(3-chloropropoxy)-ethylsilane (CID 123750468) is bis(3-chloropropoxy)-ethylsilane.
What is the SMILES notation for bis(3-chloropropoxy)-ethylsilane?
The canonical SMILES for bis(3-chloropropoxy)-ethylsilane is CC[SiH](OCCCCl)OCCCCl.
What is the InChIKey of bis(3-chloropropoxy)-ethylsilane?
The InChIKey is UOKLUMKBAARFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Cl2O2Si/c1-2-13(11-7-3-5-9)12-8-4-6-10/h13H,2-8H2,1H3.
What are the key properties of bis(3-chloropropoxy)-ethylsilane?
bis(3-chloropropoxy)-ethylsilane has a molecular weight of 245.22 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloropropoxy)-ethylsilane is sourced from PubChem (CID 123750468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).