triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane

C21H48O3S4Si2 — CID 162193631

IUPACtriethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane
SMILESCCO[Si](CC(CC)CCSSSSCCC(CC)C[Si](C)(C)C)(OCC)OCC
InChIInChI=1S/C21H48O3S4Si2/c1-9-20(18-29(6,7)8)14-16-25-27-28-26-17-15-21(10-2)19-30(22-11-3,23-12-4)24-13-5/h20-21H,9-19H2,1-8H3
InChIKeyWSDHMXUXNGZADE-UHFFFAOYSA-N
MW533.05 g/mol
LogP8.88
Rot. Bonds21

About triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane

triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane (PubChem CID 162193631) has the molecular formula C21H48O3S4Si2 and a molecular weight of 533.05 g/mol. Its IUPAC name is triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane
PubChem CID162193631
Molecular FormulaC21H48O3S4Si2
Molecular Weight533.05 g/mol
Exact Mass532.20
IUPAC Nametriethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane
SMILESCCO[Si](CC(CC)CCSSSSCCC(CC)C[Si](C)(C)C)(OCC)OCC
InChIInChI=1S/C21H48O3S4Si2/c1-9-20(18-29(6,7)8)14-16-25-27-28-26-17-15-21(10-2)19-30(22-11-3,23-12-4)24-13-5/h20-21H,9-19H2,1-8H3
InChIKeyWSDHMXUXNGZADE-UHFFFAOYSA-N
XLogP8.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.05
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane
CID 23283769
[bis(hydroxymethyl)-[2-methyl-4-[(3-methyl-4-trimethoxysilylbutyl)disulfanyl]butyl]silyl]methanol;[bis(hydroxymethyl)-[2-methyl-4-[(3-methyl-4-trimethoxysilylbutyl)tetrasulfanyl]butyl]silyl]methanol;[bis(hydroxymethyl)-[2-methyl-4-[(3-methyl-4-trimethoxysilylbutyl)trisulfanyl]butyl]silyl]methanol;[bis(hydroxymethyl)-[2-methyl-5-[(4-methyl-5-trimethoxysilylpentyl)disulfanyl]pentyl]silyl]methanol;trichloro-[2-methyl-4-[(3-methyl-4-trichlorosilylbutyl)disulfanyl]butyl]silane;trichloro-[2-methyl-4-[(3-methyl-4-trichlorosilylbutyl)tetrasulfanyl]butyl]silane;trichloro-[2-methyl-4-[(3-methyl-4-trichlorosilylbutyl)trisulfanyl]butyl]silane;trichloro-[2-methyl-5-[(4-methyl-5-trichlorosilylpentyl)disulfanyl]pentyl]silane;triethoxy-[2-methyl-4-[(3-methyl-4-trimethylsilylbutyl)disulfanyl]butyl]silane;triethoxy-[2-methyl-4-[(3-methyl-4-trimethylsilylbutyl)tetrasulfanyl]butyl]silane;triethoxy-[2-methyl-4-[(3-methyl-4-trimethylsilylbutyl)trisulfanyl]butyl]silane;triethoxy-[2-methyl-5-[(4-methyl-5-trimethylsilylpentyl)disulfanyl]pentyl]silane
CID 161381425
triethoxy(2-heptylundecyl)silane
CID 139707869
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
[4-(dimethylamino)-2-(triethoxysilylmethyl)butyl] carbamate
CID 87369702
methyl 4-(trimethylsilylmethyl)hexanoate
CID 14712721
2-(trimethylsilylmethyl)butan-1-amine
CID 106323031
3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine
CID 87342465
1-triethoxysilylpropan-2-amine
CID 10236113
4-(tributoxysilylmethyl)hexan-1-amine
CID 54334659
triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane
CID 174845742
3-(triethoxysilylmethyl)heptan-2-amine
CID 23048093

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane?
The IUPAC name of triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane (CID 162193631) is triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane.
What is the SMILES notation for triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane?
The canonical SMILES for triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane is CCO[Si](CC(CC)CCSSSSCCC(CC)C[Si](C)(C)C)(OCC)OCC.
What is the InChIKey of triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane?
The InChIKey is WSDHMXUXNGZADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O3S4Si2/c1-9-20(18-29(6,7)8)14-16-25-27-28-26-17-15-21(10-2)19-30(22-11-3,23-12-4)24-13-5/h20-21H,9-19H2,1-8H3.
What are the key properties of triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane?
triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane has a molecular weight of 533.05 g/mol, XLogP of 8.88, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-ethyl-4-[3-(trimethylsilylmethyl)pentyltetrasulfanyl]butyl]silane is sourced from PubChem (CID 162193631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).