[3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane

C30H70O12S4Si4 — CID 23283769

IUPAC[3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(CCSSSSCCC([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C30H70O12S4Si4/c1-13-31-47(32-14-2,33-15-3)29(48(34-16-4,35-17-5)36-18-6)25-27-43-45-46-44-28-26-30(49(37-19-7,38-20-8)39-21-9)50(40-22-10,41-23-11)42-24-12/h29-30H,13-28H2,1-12H3
InChIKeyIVLBGFRTARNACQ-UHFFFAOYSA-N
MW863.49 g/mol
LogP8.46
Rot. Bonds37

About [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane

[3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane (PubChem CID 23283769) has the molecular formula C30H70O12S4Si4 and a molecular weight of 863.49 g/mol. Its IUPAC name is [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane.

Molecular Properties

Compound Name[3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane
PubChem CID23283769
Molecular FormulaC30H70O12S4Si4
Molecular Weight863.49 g/mol
Exact Mass862.28
IUPAC Name[3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(CCSSSSCCC([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C30H70O12S4Si4/c1-13-31-47(32-14-2,33-15-3)29(48(34-16-4,35-17-5)36-18-6)25-27-43-45-46-44-28-26-30(49(37-19-7,38-20-8)39-21-9)50(40-22-10,41-23-11)42-24-12/h29-30H,13-28H2,1-12H3
InChIKeyIVLBGFRTARNACQ-UHFFFAOYSA-N
XLogP8.46
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.49
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(triethoxysilyl)propane-1-thiol
CID 91095961
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane
CID 162193631
1-bromohexan-2-yl(triethoxy)silane
CID 142614028
2-triethoxysilylbutane-1,4-diamine
CID 89315608
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
CID 173214345
triethoxy-[1-(propyltetrasulfanyl)-2-[4-[2-[2-[4-[2-(propyltetrasulfanyl)-2-triethoxysilylethyl]cyclohexyl]ethyltrisulfanyl]ethyl]cyclohexyl]ethyl]silane
CID 87752976
1,3-bis(triethoxysilyl)propan-1-amine
CID 154111466
[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane
CID 102409474
ethoxy-[4-[[4-[ethoxy(dimethyl)silyl]-2-methylbutyl]tetrasulfanyl]-3-methylbutyl]-dimethylsilane
CID 54350217
1-triethoxysilyldecan-1-amine
CID 87463354
4-methyl-1-triethoxysilylhexan-1-amine
CID 175249037

Frequently Asked Questions

What is the IUPAC name of [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane?
The IUPAC name of [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane (CID 23283769) is [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane.
What is the SMILES notation for [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane?
The canonical SMILES for [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane is CCO[Si](OCC)(OCC)C(CCSSSSCCC([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane?
The InChIKey is IVLBGFRTARNACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H70O12S4Si4/c1-13-31-47(32-14-2,33-15-3)29(48(34-16-4,35-17-5)36-18-6)25-27-43-45-46-44-28-26-30(49(37-19-7,38-20-8)39-21-9)50(40-22-10,41-23-11)42-24-12/h29-30H,13-28H2,1-12H3.
What are the key properties of [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane?
[3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane has a molecular weight of 863.49 g/mol, XLogP of 8.46, 37 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane is sourced from PubChem (CID 23283769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).