butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane

C20H46O6S4Si2 — CID 18462296

IUPACbutoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane
SMILESCCCCO[Si](CCCSSSSCCC[Si](OC)(OCC)OCCC)(OCC)OCC
InChIInChI=1S/C20H46O6S4Si2/c1-7-12-16-26-32(23-10-4,24-11-5)20-14-18-28-30-29-27-17-13-19-31(21-6,22-9-3)25-15-8-2/h7-20H2,1-6H3
InChIKeyMRSRSZLCKHHNGJ-UHFFFAOYSA-N
MW567.02 g/mol
LogP7.32
Rot. Bonds25

About butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane

butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane (PubChem CID 18462296) has the molecular formula C20H46O6S4Si2 and a molecular weight of 567.02 g/mol. Its IUPAC name is butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane.

Molecular Properties

Compound Namebutoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane
PubChem CID18462296
Molecular FormulaC20H46O6S4Si2
Molecular Weight567.02 g/mol
Exact Mass566.17
IUPAC Namebutoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane
SMILESCCCCO[Si](CCCSSSSCCC[Si](OC)(OCC)OCCC)(OCC)OCC
InChIInChI=1S/C20H46O6S4Si2/c1-7-12-16-26-32(23-10-4,24-11-5)20-14-18-28-30-29-27-17-13-19-31(21-6,22-9-3)25-15-8-2/h7-20H2,1-6H3
InChIKeyMRSRSZLCKHHNGJ-UHFFFAOYSA-N
XLogP7.32
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.02
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}

Analyze butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethoxy-[3-(3-triethoxysilylpropyltetrasulfanyl)propyl]silane;trimethoxy(sulfanyl)silane
CID 174845742
3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine
CID 87342465
butyl-methoxy-dipropoxysilane
CID 18672915
butoxy-butyl-dimethoxysilane
CID 139714527
3-(butyldisulfanyl)propyl-trimethoxysilane
CID 14765024
dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
CID 175038998
butyl-diethoxy-methoxysilane;molecular hydrogen
CID 161363700
dodecyl-diethoxy-methoxysilane
CID 141483107
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
tributoxy(3-iodopropyl)silane
CID 141455003
ethoxy-[5-[5-(ethoxy-methyl-propoxysilyl)pentyltetrasulfanyl]pentyl]-methyl-propoxysilane
CID 88832801

Frequently Asked Questions

What is the IUPAC name of butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane?
The IUPAC name of butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane (CID 18462296) is butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane.
What is the SMILES notation for butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane?
The canonical SMILES for butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane is CCCCO[Si](CCCSSSSCCC[Si](OC)(OCC)OCCC)(OCC)OCC.
What is the InChIKey of butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane?
The InChIKey is MRSRSZLCKHHNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O6S4Si2/c1-7-12-16-26-32(23-10-4,24-11-5)20-14-18-28-30-29-27-17-13-19-31(21-6,22-9-3)25-15-8-2/h7-20H2,1-6H3.
What are the key properties of butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane?
butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane has a molecular weight of 567.02 g/mol, XLogP of 7.32, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-diethoxy-[3-[3-(ethoxy-methoxy-propoxysilyl)propyltetrasulfanyl]propyl]silane is sourced from PubChem (CID 18462296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).