2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane

C8H18O2S2Si — CID 12070524

IUPAC2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCC1SCCS1)OC
InChIInChI=1S/C8H18O2S2Si/c1-9-13(3,10-2)7-4-8-11-5-6-12-8/h8H,4-7H2,1-3H3
InChIKeyRJHMIVKLUNDFCM-UHFFFAOYSA-N
MW238.45 g/mol
LogP2.55
Rot. Bonds5

About 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane

2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane (PubChem CID 12070524) has the molecular formula C8H18O2S2Si and a molecular weight of 238.45 g/mol. Its IUPAC name is 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane
PubChem CID12070524
Molecular FormulaC8H18O2S2Si
Molecular Weight238.45 g/mol
Exact Mass238.05
IUPAC Name2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCC1SCCS1)OC
InChIInChI=1S/C8H18O2S2Si/c1-9-13(3,10-2)7-4-8-11-5-6-12-8/h8H,4-7H2,1-3H3
InChIKeyRJHMIVKLUNDFCM-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[3-(Ethylsulfanyl)propyl](trimethoxy)silane
CID 12484752
Tert-butyl-[3-(1,3-dithiolan-2-yl)propoxy]-dimethylsilane
CID 85870394
1,2-Bis(dimethylmethoxysilyl)-butylthioethane
CID 129810304
2-(2-Trimethoxysilylethyl)-1,3-dithiolane
CID 12070523
2-(2-Trimethoxysilylethyl)-1,3-dithiane
CID 12070525
2-(1-Methyl-2-trimethoxysilylethyl)-1,3-dithiolane
CID 12070526
Trimethoxy(2-propylsulfanylethyl)silane
CID 12484754
3-Butylsulfanylpropyl(trimethoxy)silane
CID 12484758
4-t-Butyldimethylsilyloxymethyl-2-ethoxy-1,3-dithiolane
CID 21255844
1-Ethylsulfanylpropyl(trimethoxy)silane
CID 21412054
Trimethoxy(3-propylsulfanylpropyl)silane
CID 23261384
CID 58300819
CID 58300819

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane?
The IUPAC name of 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane (CID 12070524) is 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane.
What is the SMILES notation for 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane?
The canonical SMILES for 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane is CO[Si](C)(CCC1SCCS1)OC.
What is the InChIKey of 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane?
The InChIKey is RJHMIVKLUNDFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2Si/c1-9-13(3,10-2)7-4-8-11-5-6-12-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane?
2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane has a molecular weight of 238.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiolan-2-yl)ethyl-dimethoxy-methylsilane is sourced from PubChem (CID 12070524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).