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

C10H18OS2 — CID 86069100

IUPAC3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene
SMILESC=CCSCCOCCSCC=C
InChIInChI=1S/C10H18OS2/c1-3-7-12-9-5-11-6-10-13-8-4-2/h3-4H,1-2,5-10H2
InChIKeyHTYPZYYLKQIKGE-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.84
Rot. Bonds10

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

3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene (PubChem CID 86069100) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene.

Molecular Properties

Compound Name3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene
PubChem CID86069100
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene
SMILESC=CCSCCOCCSCC=C
InChIInChI=1S/C10H18OS2/c1-3-7-12-9-5-11-6-10-13-8-4-2/h3-4H,1-2,5-10H2
InChIKeyHTYPZYYLKQIKGE-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene?
The IUPAC name of 3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene (CID 86069100) is 3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene.
What is the SMILES notation for 3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene?
The canonical SMILES for 3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene is C=CCSCCOCCSCC=C.
What is the InChIKey of 3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene?
The InChIKey is HTYPZYYLKQIKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-3-7-12-9-5-11-6-10-13-8-4-2/h3-4H,1-2,5-10H2.
What are the key properties of 3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene?
3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene has a molecular weight of 218.39 g/mol, XLogP of 2.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-prop-2-enylsulfanylethoxy)ethylsulfanyl]prop-1-ene is sourced from PubChem (CID 86069100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).