chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane

C12H28Cl2O3Si2 — CID 91748231

IUPACchloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane
SMILESCCC[Si](CCl)(OCC)O[Si](CCl)(CCC)OCC
InChIInChI=1S/C12H28Cl2O3Si2/c1-5-9-18(11-13,15-7-3)17-19(12-14,10-6-2)16-8-4/h5-12H2,1-4H3
InChIKeyRZNABFRHQXLCNQ-UHFFFAOYSA-N
MW347.43 g/mol
LogP4.34
Rot. Bonds12

About chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane

chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane (PubChem CID 91748231) has the molecular formula C12H28Cl2O3Si2 and a molecular weight of 347.43 g/mol. Its IUPAC name is chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane.

Molecular Properties

Compound Namechloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane
PubChem CID91748231
Molecular FormulaC12H28Cl2O3Si2
Molecular Weight347.43 g/mol
Exact Mass346.10
IUPAC Namechloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane
SMILESCCC[Si](CCl)(OCC)O[Si](CCl)(CCC)OCC
InChIInChI=1S/C12H28Cl2O3Si2/c1-5-9-18(11-13,15-7-3)17-19(12-14,10-6-2)16-8-4/h5-12H2,1-4H3
InChIKeyRZNABFRHQXLCNQ-UHFFFAOYSA-N
XLogP4.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Di-n-butoxy-(chloromethyl)methylsilane
CID 19078520
Ethoxy-dimethyl-(3-trimethylsilyloxypropyl)silane
CID 12469820
Triethoxy(3-(trimethylsilyl)propyl)silane
CID 87658640
1,3-Bischloromethyltetraethoxydisiloxane
CID 91748224
2,12-Dichloro-2,7,7,12-tetramethyl-6,8-dioxa-2,7,12-trisilatridecane
CID 642596
2,2,12,12-Tetrachloro-7,7-dimethyl-6,8-dioxa-2,7,12-trisilatridecane
CID 642597
1,3-Disiloxane, 1,3-diethoxy, 1,3-dimethyl, 1,3-bis-(chloromethyl)
CID 15049311
Silane, chloromethyl, methyl, dipropoxy
CID 23146659
1-Ethoxy-1-propyl-1,3,3,3-tetramethyldisiloxane
CID 129721147
1-Chlorodimethylsilyl-3-triethoxysilylpropane
CID 129722243
1-Triethoxysilyl-3-chlorodimethylsilylpropane
CID 129722245
1,3,5-Trischloromethylpentaethoxytrisiloxane
CID 129806745

Frequently Asked Questions

What is the IUPAC name of chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane?
The IUPAC name of chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane (CID 91748231) is chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane.
What is the SMILES notation for chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane?
The canonical SMILES for chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane is CCC[Si](CCl)(OCC)O[Si](CCl)(CCC)OCC.
What is the InChIKey of chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane?
The InChIKey is RZNABFRHQXLCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28Cl2O3Si2/c1-5-9-18(11-13,15-7-3)17-19(12-14,10-6-2)16-8-4/h5-12H2,1-4H3.
What are the key properties of chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane?
chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane has a molecular weight of 347.43 g/mol, XLogP of 4.34, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-(chloromethyl-ethoxy-propylsilyl)oxy-ethoxy-propylsilane is sourced from PubChem (CID 91748231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).