1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane

C8H18O4S — CID 86617054

IUPAC1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane
SMILESCOC(C)(OC)SC(C)(OC)OC
InChIInChI=1S/C8H18O4S/c1-7(9-3,10-4)13-8(2,11-5)12-6/h1-6H3
InChIKeyAFQHUQVLNCZWMK-UHFFFAOYSA-N
MW210.29 g/mol
LogP1.65
Rot. Bonds6

About 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane

1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane (PubChem CID 86617054) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane.

Molecular Properties

Compound Name1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane
PubChem CID86617054
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Name1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane
SMILESCOC(C)(OC)SC(C)(OC)OC
InChIInChI=1S/C8H18O4S/c1-7(9-3,10-4)13-8(2,11-5)12-6/h1-6H3
InChIKeyAFQHUQVLNCZWMK-UHFFFAOYSA-N
XLogP1.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane 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

2-methoxy-2-methylpropane;hydrate
CID 23212559
hydron;2-methoxy-2-methylpropane
CID 174107716
2-methoxy-2-methylsulfanylpropane
CID 22975969
hydrazine;2-methoxy-2-methylpropane
CID 158568740
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
1,1,1-trimethoxyethane;hydrochloride
CID 162313346
2,2-dimethoxypropane;methane
CID 162063722
3-methoxy-3-methyl-1-methylsulfanyloxybutane
CID 146569960
1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine
CID 12551193
2-methoxy-3-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutane
CID 88631923
benzene;2,2-dimethoxypropane
CID 174975680
2,5-dimethoxy-2,5-dimethylhexane
CID 552009

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane?
The IUPAC name of 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane (CID 86617054) is 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane.
What is the SMILES notation for 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane?
The canonical SMILES for 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane is COC(C)(OC)SC(C)(OC)OC.
What is the InChIKey of 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane?
The InChIKey is AFQHUQVLNCZWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S/c1-7(9-3,10-4)13-8(2,11-5)12-6/h1-6H3.
What are the key properties of 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane?
1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane has a molecular weight of 210.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane is sourced from PubChem (CID 86617054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).