dichloromethyl(triethoxy)silane

C7H16Cl2O3Si — CID 13237489

IUPACdichloromethyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C(Cl)Cl
InChIInChI=1S/C7H16Cl2O3Si/c1-4-10-13(7(8)9,11-5-2)12-6-3/h7H,4-6H2,1-3H3
InChIKeyIXQMGECVDWVOFK-UHFFFAOYSA-N
MW247.19 g/mol
LogP2.38
Rot. Bonds7

About dichloromethyl(triethoxy)silane

dichloromethyl(triethoxy)silane (PubChem CID 13237489) has the molecular formula C7H16Cl2O3Si and a molecular weight of 247.19 g/mol. Its IUPAC name is dichloromethyl(triethoxy)silane.

Molecular Properties

Compound Namedichloromethyl(triethoxy)silane
PubChem CID13237489
Molecular FormulaC7H16Cl2O3Si
Molecular Weight247.19 g/mol
Exact Mass246.02
IUPAC Namedichloromethyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C(Cl)Cl
InChIInChI=1S/C7H16Cl2O3Si/c1-4-10-13(7(8)9,11-5-2)12-6-3/h7H,4-6H2,1-3H3
InChIKeyIXQMGECVDWVOFK-UHFFFAOYSA-N
XLogP2.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 52.38
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

Silane, (chloromethyl)triethoxy-
CID 84858
1,3-Bischloromethyltetraethoxydisiloxane
CID 91748224
Chloromethyldiethoxysilane
CID 14475751
Chloro(chloromethyl)diethoxysilane
CID 22227254
1,3-Disiloxane, 1,3-diethoxy, 1,3-dimethyl, 1,3-bis-(chloromethyl)
CID 15049311
Chloromethyl dipropoxychlorosilane
CID 129803734
1,3,5-Trischloromethylpentaethoxytrisiloxane
CID 129806745
1-Dichloromethyl(dimethyl)silyloxybutane
CID 554666
Triethoxy(trichloromethyl)silane
CID 18764254
Chloromethyl-diethoxy-methoxysilane
CID 22227250
Chloromethyl-ethoxy-dimethoxysilane
CID 54371238
CID 57148132
CID 57148132

Frequently Asked Questions

What is the IUPAC name of dichloromethyl(triethoxy)silane?
The IUPAC name of dichloromethyl(triethoxy)silane (CID 13237489) is dichloromethyl(triethoxy)silane.
What is the SMILES notation for dichloromethyl(triethoxy)silane?
The canonical SMILES for dichloromethyl(triethoxy)silane is CCO[Si](OCC)(OCC)C(Cl)Cl.
What is the InChIKey of dichloromethyl(triethoxy)silane?
The InChIKey is IXQMGECVDWVOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl2O3Si/c1-4-10-13(7(8)9,11-5-2)12-6-3/h7H,4-6H2,1-3H3.
What are the key properties of dichloromethyl(triethoxy)silane?
dichloromethyl(triethoxy)silane has a molecular weight of 247.19 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl(triethoxy)silane is sourced from PubChem (CID 13237489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).