1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane

C5H12Cl2O4Si — CID 174674593

IUPAC1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane
SMILESCCC(Cl)O[Si](O)(O)OC(C)Cl
InChIInChI=1S/C5H12Cl2O4Si/c1-3-5(7)11-12(8,9)10-4(2)6/h4-5,8-9H,3H2,1-2H3
InChIKeyMIAYBFNHRQMFFQ-UHFFFAOYSA-N
MW235.14 g/mol
LogP1.00
Rot. Bonds5

About 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane

1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane (PubChem CID 174674593) has the molecular formula C5H12Cl2O4Si and a molecular weight of 235.14 g/mol. Its IUPAC name is 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane.

Molecular Properties

Compound Name1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane
PubChem CID174674593
Molecular FormulaC5H12Cl2O4Si
Molecular Weight235.14 g/mol
Exact Mass233.99
IUPAC Name1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane
SMILESCCC(Cl)O[Si](O)(O)OC(C)Cl
InChIInChI=1S/C5H12Cl2O4Si/c1-3-5(7)11-12(8,9)10-4(2)6/h4-5,8-9H,3H2,1-2H3
InChIKeyMIAYBFNHRQMFFQ-UHFFFAOYSA-N
XLogP1.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-chloroethoxy-ethyl-dimethylsilane
CID 143903515
tert-butyl-(1-chloropropoxy)-dimethylsilane
CID 23216108
1-chloro-1-(1-chloropropoxy)propane
CID 20501667
1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane
CID 171486067
bis(tri(butan-2-yloxy)-hydroxysilane);zirconium
CID 175131164
2-(1-chloropropoxy)ethanol
CID 19070492
dichloromethoxy(trihydroxy)silane
CID 174402564
ethoxy-hydroxy-methyl-propan-2-yloxysilane
CID 174545360
1-chloropropyl nitrate
CID 18927537
1-chloropropyl 2,2-dichloroacetate
CID 13030332
O-(1-chloropropyl) carbamothioate
CID 175179302
1-chloropropyl hydrogen sulfate
CID 21327629

Frequently Asked Questions

What is the IUPAC name of 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane?
The IUPAC name of 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane (CID 174674593) is 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane.
What is the SMILES notation for 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane?
The canonical SMILES for 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane is CCC(Cl)O[Si](O)(O)OC(C)Cl.
What is the InChIKey of 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane?
The InChIKey is MIAYBFNHRQMFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2O4Si/c1-3-5(7)11-12(8,9)10-4(2)6/h4-5,8-9H,3H2,1-2H3.
What are the key properties of 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane?
1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane has a molecular weight of 235.14 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane is sourced from PubChem (CID 174674593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).