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

C18H42O2S2Si2 — CID 158917450

IUPAC[5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane
SMILESCCOC(CCCCSSCCCCC(OCC)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C18H42O2S2Si2/c1-7-19-17(23(3)4)13-9-11-15-21-22-16-12-10-14-18(20-8-2)24(5)6/h17-18,23-24H,7-16H2,1-6H3
InChIKeyJHKGPABKYBNEIK-UHFFFAOYSA-N
MW410.84 g/mol
LogP5.57
Rot. Bonds17

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

[5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane (PubChem CID 158917450) has the molecular formula C18H42O2S2Si2 and a molecular weight of 410.84 g/mol. Its IUPAC name is [5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane.

Molecular Properties

Compound Name[5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane
PubChem CID158917450
Molecular FormulaC18H42O2S2Si2
Molecular Weight410.84 g/mol
Exact Mass410.22
IUPAC Name[5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane
SMILESCCOC(CCCCSSCCCCC(OCC)[SiH](C)C)[SiH](C)C
InChIInChI=1S/C18H42O2S2Si2/c1-7-19-17(23(3)4)13-9-11-15-21-22-16-12-10-14-18(20-8-2)24(5)6/h17-18,23-24H,7-16H2,1-6H3
InChIKeyJHKGPABKYBNEIK-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.84
LogP ≤ 55.57
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)trisulfanyl]-1-ethoxypentyl]-dimethylsilane
CID 159624155
[1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane
CID 158376151
(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
CID 154163836
8-(6-sulfanyloctyldisulfanyl)octane-3-thiol
CID 140991415
16-bromo-1,1-diethoxyhexadecane
CID 88601641
1-butylsulfanyl-1-ethoxybutane
CID 141009486
diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
CID 154121374
potassium 3,3-diethoxypropan-1-olate
CID 23688415
1-(1-ethoxyethylsulfanyl)dodecane
CID 173426954
3-ethoxyheptane-1,7-diol
CID 57097049
5-ethoxyheptan-1-ol
CID 15053038
11-(decyldisulfanyl)undecan-1-ol
CID 102160714

Frequently Asked Questions

What is the IUPAC name of [5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane?
The IUPAC name of [5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane (CID 158917450) is [5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane.
What is the SMILES notation for [5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane?
The canonical SMILES for [5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane is CCOC(CCCCSSCCCCC(OCC)[SiH](C)C)[SiH](C)C.
What is the InChIKey of [5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane?
The InChIKey is JHKGPABKYBNEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O2S2Si2/c1-7-19-17(23(3)4)13-9-11-15-21-22-16-12-10-14-18(20-8-2)24(5)6/h17-18,23-24H,7-16H2,1-6H3.
What are the key properties of [5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane?
[5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane has a molecular weight of 410.84 g/mol, XLogP of 5.57, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-dimethylsilyl-5-ethoxypentyl)disulfanyl]-1-ethoxypentyl]-dimethylsilane is sourced from PubChem (CID 158917450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).