dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane

C21H50O9Si3 — CID 175038998

IUPACdimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
SMILESCCO[Si](CCCCO[Si](CCC[Si](OCC)(OCC)OCC)(OC)OC)(OCC)OCC
InChIInChI=1S/C21H50O9Si3/c1-9-24-32(25-10-2,26-11-3)19-16-15-18-30-31(22-7,23-8)20-17-21-33(27-12-4,28-13-5)29-14-6/h9-21H2,1-8H3
InChIKeyJVXJRTKACKVKGW-UHFFFAOYSA-N
MW530.88 g/mol
LogP4.50
Rot. Bonds24

About dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane

dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane (PubChem CID 175038998) has the molecular formula C21H50O9Si3 and a molecular weight of 530.88 g/mol. Its IUPAC name is dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane.

Molecular Properties

Compound Namedimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
PubChem CID175038998
Molecular FormulaC21H50O9Si3
Molecular Weight530.88 g/mol
Exact Mass530.28
IUPAC Namedimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
SMILESCCO[Si](CCCCO[Si](CCC[Si](OCC)(OCC)OCC)(OC)OC)(OCC)OCC
InChIInChI=1S/C21H50O9Si3/c1-9-24-32(25-10-2,26-11-3)19-16-15-18-30-31(22-7,23-8)20-17-21-33(27-12-4,28-13-5)29-14-6/h9-21H2,1-8H3
InChIKeyJVXJRTKACKVKGW-UHFFFAOYSA-N
XLogP4.50
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.88
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
butoxy-butyl-dimethoxysilane
CID 139714527
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
dodecyl-diethoxy-methoxysilane
CID 141483107
dodecyl-ethoxy-dimethoxysilane;dodecyl(triethoxy)silane;dodecyl(trihydroxy)silane
CID 167572282
triethoxy(3-methoxypropyl)silane
CID 22712922
diethoxy-methoxy-(5,5,5-trifluoropentyl)silane
CID 174718643
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
18-bromooctadecyl(triethoxy)silane
CID 87686820
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231

Frequently Asked Questions

What is the IUPAC name of dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane?
The IUPAC name of dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane (CID 175038998) is dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane.
What is the SMILES notation for dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane?
The canonical SMILES for dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane is CCO[Si](CCCCO[Si](CCC[Si](OCC)(OCC)OCC)(OC)OC)(OCC)OCC.
What is the InChIKey of dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane?
The InChIKey is JVXJRTKACKVKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50O9Si3/c1-9-24-32(25-10-2,26-11-3)19-16-15-18-30-31(22-7,23-8)20-17-21-33(27-12-4,28-13-5)29-14-6/h9-21H2,1-8H3.
What are the key properties of dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane?
dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane has a molecular weight of 530.88 g/mol, XLogP of 4.50, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane is sourced from PubChem (CID 175038998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).