chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane

C12H29Cl3O5Si3 — CID 19089378

IUPACchloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane
SMILESCCO[Si](Cl)(C[Si](Cl)(OCC)OCC)C[Si](Cl)(OCC)OCC
InChIInChI=1S/C12H29Cl3O5Si3/c1-6-16-21(13,11-22(14,17-7-2)18-8-3)12-23(15,19-9-4)20-10-5/h6-12H2,1-5H3
InChIKeyWDGCWIMGFISCCA-UHFFFAOYSA-N
MW443.98 g/mol
LogP4.28
Rot. Bonds14

About chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane

chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane (PubChem CID 19089378) has the molecular formula C12H29Cl3O5Si3 and a molecular weight of 443.98 g/mol. Its IUPAC name is chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane.

Molecular Properties

Compound Namechloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane
PubChem CID19089378
Molecular FormulaC12H29Cl3O5Si3
Molecular Weight443.98 g/mol
Exact Mass442.04
IUPAC Namechloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane
SMILESCCO[Si](Cl)(C[Si](Cl)(OCC)OCC)C[Si](Cl)(OCC)OCC
InChIInChI=1S/C12H29Cl3O5Si3/c1-6-16-21(13,11-22(14,17-7-2)18-8-3)12-23(15,19-9-4)20-10-5/h6-12H2,1-5H3
InChIKeyWDGCWIMGFISCCA-UHFFFAOYSA-N
XLogP4.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

Silicic acid (H4SiO4), tetraethyl ester, reaction products with chlorodimethylsilane
CID 90659575
Silicic acid, diethyl bis(trimethylsilyl) ester
CID 77092
4,7-Diethoxy-4,7-dimethyl-3,8-dioxa-4,7-disiladecane
CID 87427
3-Ethoxy-1,1,1,5,5,5-hexamethyl-3-((trimethylsilyl)oxy)trisiloxane
CID 624542
Silicic acid (H4SiO4), tetraethyl ester, hydrolysis products with chlorotrimethylsilane
CID 155151
1,2-Bis(methyldiethoxysilyl)Methane
CID 13131406
1,7-Diethoxy-1,1,3,3,5,5,7,7-octamethyl-tetrasiloxane
CID 14341023
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
Triethyl trimethylsilyl orthosilicate
CID 13424769
Dimethoxy(dimethyl)silane;tetraethyl silicate
CID 18419924

Frequently Asked Questions

What is the IUPAC name of chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane?
The IUPAC name of chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane (CID 19089378) is chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane.
What is the SMILES notation for chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane?
The canonical SMILES for chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane is CCO[Si](Cl)(C[Si](Cl)(OCC)OCC)C[Si](Cl)(OCC)OCC.
What is the InChIKey of chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane?
The InChIKey is WDGCWIMGFISCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29Cl3O5Si3/c1-6-16-21(13,11-22(14,17-7-2)18-8-3)12-23(15,19-9-4)20-10-5/h6-12H2,1-5H3.
What are the key properties of chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane?
chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane has a molecular weight of 443.98 g/mol, XLogP of 4.28, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis[[chloro(diethoxy)silyl]methyl]-ethoxysilane is sourced from PubChem (CID 19089378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).