[1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane

C20H46O2S2Si2 — CID 158376151

IUPAC[1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane
SMILESCCCCOC(CCCSSCCCC(OCCCC)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C20H46O2S2Si2/c1-7-9-15-21-19(25(3)4)13-11-17-23-24-18-12-14-20(26(5)6)22-16-10-8-2/h19-20,25-26H,7-18H2,1-6H3
InChIKeyGVFKMGKDGWJYIB-UHFFFAOYSA-N
MW438.89 g/mol
LogP6.35
Rot. Bonds19

About [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane

[1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane (PubChem CID 158376151) has the molecular formula C20H46O2S2Si2 and a molecular weight of 438.89 g/mol. Its IUPAC name is [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane.

Molecular Properties

Compound Name[1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane
PubChem CID158376151
Molecular FormulaC20H46O2S2Si2
Molecular Weight438.89 g/mol
Exact Mass438.25
IUPAC Name[1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane
SMILESCCCCOC(CCCSSCCCC(OCCCC)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C20H46O2S2Si2/c1-7-9-15-21-19(25(3)4)13-11-17-23-24-18-12-14-20(26(5)6)22-16-10-8-2/h19-20,25-26H,7-18H2,1-6H3
InChIKeyGVFKMGKDGWJYIB-UHFFFAOYSA-N
XLogP6.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.89
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane
CID 158917450
[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane
CID 159624155
1,1,4,4-tetrabutoxybutane
CID 139887225
O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate
CID 154100619
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
1-butoxy-1-(1-butoxybutoxy)butane
CID 121333025
2-butoxyhexane;ethane
CID 144590910
1,1-dibutoxyoctane
CID 54557001
butyl (2S)-2-amino-4-[[(3S)-3-amino-4-butoxy-4-oxobutyl]disulfanyl]butanoate
CID 10429890
4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane
CID 123229038
3-(1-butoxyethoxy)propan-1-ol
CID 54457983

Frequently Asked Questions

What is the IUPAC name of [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane?
The IUPAC name of [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane (CID 158376151) is [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane.
What is the SMILES notation for [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane?
The canonical SMILES for [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane is CCCCOC(CCCSSCCCC(OCCCC)[SiH](C)C)[SiH](C)C.
What is the InChIKey of [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane?
The InChIKey is GVFKMGKDGWJYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O2S2Si2/c1-7-9-15-21-19(25(3)4)13-11-17-23-24-18-12-14-20(26(5)6)22-16-10-8-2/h19-20,25-26H,7-18H2,1-6H3.
What are the key properties of [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane?
[1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane has a molecular weight of 438.89 g/mol, XLogP of 6.35, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane is sourced from PubChem (CID 158376151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).