3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene

C12H22O2S2 — CID 4997850

IUPAC3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene
SMILESC=CCSCCOCCOCCSCC=C
InChIInChI=1S/C12H22O2S2/c1-3-9-15-11-7-13-5-6-14-8-12-16-10-4-2/h3-4H,1-2,5-12H2
InChIKeyFRVJRLGBJGXYHY-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.86
Rot. Bonds13

About 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene

3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene (PubChem CID 4997850) has the molecular formula C12H22O2S2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene.

Molecular Properties

Compound Name3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene
PubChem CID4997850
Molecular FormulaC12H22O2S2
Molecular Weight262.44 g/mol
Exact Mass262.11
IUPAC Name3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene
SMILESC=CCSCCOCCOCCSCC=C
InChIInChI=1S/C12H22O2S2/c1-3-9-15-11-7-13-5-6-14-8-12-16-10-4-2/h3-4H,1-2,5-12H2
InChIKeyFRVJRLGBJGXYHY-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene?
The IUPAC name of 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene (CID 4997850) is 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene.
What is the SMILES notation for 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene?
The canonical SMILES for 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene is C=CCSCCOCCOCCSCC=C.
What is the InChIKey of 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene?
The InChIKey is FRVJRLGBJGXYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S2/c1-3-9-15-11-7-13-5-6-14-8-12-16-10-4-2/h3-4H,1-2,5-12H2.
What are the key properties of 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene?
3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene has a molecular weight of 262.44 g/mol, XLogP of 2.86, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-prop-2-enylsulfanylethoxy)ethoxy]ethylsulfanyl]prop-1-ene is sourced from PubChem (CID 4997850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).