2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane

C8H18O4S — CID 554732

IUPAC2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane
SMILESCOC(CSCC(OC)OC)OC
InChIInChI=1S/C8H18O4S/c1-9-7(10-2)5-13-6-8(11-3)12-4/h7-8H,5-6H2,1-4H3
InChIKeyHYCLPVFMDWDNKS-UHFFFAOYSA-N
MW210.29 g/mol
LogP0.96
Rot. Bonds8

About 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane

2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane (PubChem CID 554732) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane
PubChem CID554732
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Name2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane
SMILESCOC(CSCC(OC)OC)OC
InChIInChI=1S/C8H18O4S/c1-9-7(10-2)5-13-6-8(11-3)12-4/h7-8H,5-6H2,1-4H3
InChIKeyHYCLPVFMDWDNKS-UHFFFAOYSA-N
XLogP0.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane?
The IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane (CID 554732) is 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane.
What is the SMILES notation for 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane?
The canonical SMILES for 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane is COC(CSCC(OC)OC)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane?
The InChIKey is HYCLPVFMDWDNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S/c1-9-7(10-2)5-13-6-8(11-3)12-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane?
2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane has a molecular weight of 210.29 g/mol, XLogP of 0.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylsulfanyl)-1,1-dimethoxyethane is sourced from PubChem (CID 554732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).