4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene

C12H22OS2 — CID 87255384

IUPAC4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene
SMILESC=CC(CSCC)OC(C=C)CSCC
InChIInChI=1S/C12H22OS2/c1-5-11(9-14-7-3)13-12(6-2)10-15-8-4/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyLJGQQCJYCNRUJP-UHFFFAOYSA-N
MW246.44 g/mol
LogP3.62
Rot. Bonds10

About 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene

4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene (PubChem CID 87255384) has the molecular formula C12H22OS2 and a molecular weight of 246.44 g/mol. Its IUPAC name is 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene
PubChem CID87255384
Molecular FormulaC12H22OS2
Molecular Weight246.44 g/mol
Exact Mass246.11
IUPAC Name4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene
SMILESC=CC(CSCC)OC(C=C)CSCC
InChIInChI=1S/C12H22OS2/c1-5-11(9-14-7-3)13-12(6-2)10-15-8-4/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyLJGQQCJYCNRUJP-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene 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

(2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane
CID 134923148
2-Propenyl 2,3-bis-(methylthio)propyl ether
CID 524110
3-But-3-en-2-yloxythiolane
CID 21410044
2-Prop-2-enoxy-1-(2-prop-2-enoxypropylsulfanyl)propane;bis(rutherfordium)
CID 59663984
2-Ethenyl-1,4-oxathiane
CID 67652907
5-Ethenyl-2-methyl-1,3-oxathiolane
CID 70232072
1,3-Bis(methylsulfanyl)-2-prop-2-enoxypropane
CID 85767605
3-Ethoxy-4-(2-ethoxybut-3-enylsulfanyl)but-1-ene
CID 87899821
3-Methoxy-2,3-dihydrothiophene
CID 89093409
3-Butoxy-6-propylsulfanylhex-1-ene
CID 123230129
(Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane
CID 142987486
2-Ethenyl-2,6-dimethyl-1,3-oxathiane
CID 168897244

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene?
The IUPAC name of 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene (CID 87255384) is 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene.
What is the SMILES notation for 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene?
The canonical SMILES for 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene is C=CC(CSCC)OC(C=C)CSCC.
What is the InChIKey of 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene?
The InChIKey is LJGQQCJYCNRUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS2/c1-5-11(9-14-7-3)13-12(6-2)10-15-8-4/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene?
4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene has a molecular weight of 246.44 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene is sourced from PubChem (CID 87255384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).