(E)-5-(2-hexylsulfanylethyl)dec-5-ene

C18H36S — CID 134843827

IUPAC(E)-5-(2-hexylsulfanylethyl)dec-5-ene
SMILESCCCC/C=C(\CCCC)CCSCCCCCC
InChIInChI=1S/C18H36S/c1-4-7-10-12-16-19-17-15-18(13-9-6-3)14-11-8-5-2/h14H,4-13,15-17H2,1-3H3/b18-14+
InChIKeyITAWVQMXSHHLLD-NBVRZTHBSA-N
MW284.55 g/mol
LogP7.00
Rot. Bonds14

About (E)-5-(2-hexylsulfanylethyl)dec-5-ene

(E)-5-(2-hexylsulfanylethyl)dec-5-ene (PubChem CID 134843827) has the molecular formula C18H36S and a molecular weight of 284.55 g/mol. Its IUPAC name is (E)-5-(2-hexylsulfanylethyl)dec-5-ene.

Molecular Properties

Compound Name(E)-5-(2-hexylsulfanylethyl)dec-5-ene
PubChem CID134843827
Molecular FormulaC18H36S
Molecular Weight284.55 g/mol
Exact Mass284.25
IUPAC Name(E)-5-(2-hexylsulfanylethyl)dec-5-ene
SMILESCCCC/C=C(\CCCC)CCSCCCCCC
InChIInChI=1S/C18H36S/c1-4-7-10-12-16-19-17-15-18(13-9-6-3)14-11-8-5-2/h14H,4-13,15-17H2,1-3H3/b18-14+
InChIKeyITAWVQMXSHHLLD-NBVRZTHBSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.55
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-butyldec-5-ene
CID 15367252
5-butylicos-4-ene
CID 54084142
(E)-5-butyltridec-4-ene
CID 12531554
5-ethyltetradec-5-ene
CID 54129215
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
(E)-12-bromo-6-butyldodec-5-ene
CID 10086325
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanyloctane
CID 15742910
1-nonylsulfanyldodecane
CID 87077738
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-tetracosylsulfanyloctacosane
CID 87077758
1-octadecylsulfanyloctacosane
CID 87077538

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-hexylsulfanylethyl)dec-5-ene?
The IUPAC name of (E)-5-(2-hexylsulfanylethyl)dec-5-ene (CID 134843827) is (E)-5-(2-hexylsulfanylethyl)dec-5-ene.
What is the SMILES notation for (E)-5-(2-hexylsulfanylethyl)dec-5-ene?
The canonical SMILES for (E)-5-(2-hexylsulfanylethyl)dec-5-ene is CCCC/C=C(\CCCC)CCSCCCCCC.
What is the InChIKey of (E)-5-(2-hexylsulfanylethyl)dec-5-ene?
The InChIKey is ITAWVQMXSHHLLD-NBVRZTHBSA-N. The full InChI is InChI=1S/C18H36S/c1-4-7-10-12-16-19-17-15-18(13-9-6-3)14-11-8-5-2/h14H,4-13,15-17H2,1-3H3/b18-14+.
What are the key properties of (E)-5-(2-hexylsulfanylethyl)dec-5-ene?
(E)-5-(2-hexylsulfanylethyl)dec-5-ene has a molecular weight of 284.55 g/mol, XLogP of 7.00, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-hexylsulfanylethyl)dec-5-ene is sourced from PubChem (CID 134843827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).