[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane

C18H42O2S3Si2 — CID 159624155

IUPAC[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane
SMILESCCOC(CCCCSSSCCCCC(OCC)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C18H42O2S3Si2/c1-7-19-17(24(3)4)13-9-11-15-21-23-22-16-12-10-14-18(20-8-2)25(5)6/h17-18,24-25H,7-16H2,1-6H3
InChIKeyMOGRWFXHNOJLTF-UHFFFAOYSA-N
MW442.91 g/mol
LogP6.22
Rot. Bonds18

About [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane

[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane (PubChem CID 159624155) has the molecular formula C18H42O2S3Si2 and a molecular weight of 442.91 g/mol. Its IUPAC name is [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane.

Molecular Properties

Compound Name[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane
PubChem CID159624155
Molecular FormulaC18H42O2S3Si2
Molecular Weight442.91 g/mol
Exact Mass442.19
IUPAC Name[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane
SMILESCCOC(CCCCSSSCCCCC(OCC)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C18H42O2S3Si2/c1-7-19-17(24(3)4)13-9-11-15-21-23-22-16-12-10-14-18(20-8-2)25(5)6/h17-18,24-25H,7-16H2,1-6H3
InChIKeyMOGRWFXHNOJLTF-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
[1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane
CID 158376151
diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
CID 154121374
(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
CID 154163836
[6-[(6,6-dimethoxy-5-silylhexyl)trisulfanyl]-1,1-dimethoxyhexan-2-yl]silane
CID 154139197
1-(hexyltrisulfanyl)octadecane
CID 140815608
1-(butyltrisulfanyl)octane
CID 141156696
16-bromo-1,1-diethoxyhexadecane
CID 88601641
5-ethoxyheptan-1-ol
CID 15053038
4-(3-dimethoxysilylbutyltrisulfanyl)butan-2-yl-dimethoxysilane
CID 154083059
3-ethoxyheptane-1,7-diol
CID 57097049
1,4-dibromo-2-ethoxybutane
CID 19019599

Frequently Asked Questions

What is the IUPAC name of [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane?
The IUPAC name of [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane (CID 159624155) is [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane.
What is the SMILES notation for [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane?
The canonical SMILES for [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane is CCOC(CCCCSSSCCCCC(OCC)[SiH](C)C)[SiH](C)C.
What is the InChIKey of [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane?
The InChIKey is MOGRWFXHNOJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O2S3Si2/c1-7-19-17(24(3)4)13-9-11-15-21-23-22-16-12-10-14-18(20-8-2)25(5)6/h17-18,24-25H,7-16H2,1-6H3.
What are the key properties of [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane?
[5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane has a molecular weight of 442.91 g/mol, XLogP of 6.22, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-dimethylsilyl-5-ethoxypentyl)trisulfanyl]-1-ethoxypentyl]-dimethylsilane is sourced from PubChem (CID 159624155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).