1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane

C8H14O2S — CID 3377530

IUPAC1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane
SMILESC=COCCSCCOC=C
InChIInChI=1S/C8H14O2S/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2
InChIKeyWGNYQHCDZZAGSA-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.04
Rot. Bonds8

About 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane

1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane (PubChem CID 3377530) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane.

Molecular Properties

Compound Name1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane
PubChem CID3377530
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane
SMILESC=COCCSCCOC=C
InChIInChI=1S/C8H14O2S/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2
InChIKeyWGNYQHCDZZAGSA-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane?
The IUPAC name of 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane (CID 3377530) is 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane.
What is the SMILES notation for 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane?
The canonical SMILES for 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane is C=COCCSCCOC=C.
What is the InChIKey of 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane?
The InChIKey is WGNYQHCDZZAGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane?
1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane has a molecular weight of 174.26 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-(2-ethenoxyethylsulfanyl)ethane is sourced from PubChem (CID 3377530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).