5-pent-4-enylsulfanyloxysulfanylpent-1-ene

C10H18OS2 — CID 87216735

IUPAC5-pent-4-enylsulfanyloxysulfanylpent-1-ene
SMILESC=CCCCSOSCCCC=C
InChIInChI=1S/C10H18OS2/c1-3-5-7-9-12-11-13-10-8-6-4-2/h3-4H,1-2,5-10H2
InChIKeyNVMRZUZKFHWGRZ-UHFFFAOYSA-N
MW218.39 g/mol
LogP4.23
Rot. Bonds10

About 5-pent-4-enylsulfanyloxysulfanylpent-1-ene

5-pent-4-enylsulfanyloxysulfanylpent-1-ene (PubChem CID 87216735) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 5-pent-4-enylsulfanyloxysulfanylpent-1-ene.

Molecular Properties

Compound Name5-pent-4-enylsulfanyloxysulfanylpent-1-ene
PubChem CID87216735
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name5-pent-4-enylsulfanyloxysulfanylpent-1-ene
SMILESC=CCCCSOSCCCC=C
InChIInChI=1S/C10H18OS2/c1-3-5-7-9-12-11-13-10-8-6-4-2/h3-4H,1-2,5-10H2
InChIKeyNVMRZUZKFHWGRZ-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(But-3-en-1-yl)disulfanyl]but-1-ene
CID 71393173
6-(Hex-5-enyldisulfanyl)hex-1-ene
CID 57200305
sec-Butyl trans-1-butenyl disulfide
CID 11636908
(Z)-1-(But-1-en-1-yl)-2-(sec-butyl)disulfane
CID 11701129
Hexa-1,5-dienyl trisulfide
CID 157009856
1,5-Hexadienyltrisulphide
CID 56619360
Allyl 1,5-hexadienyltrisulfide
CID 129670296
5-(Pent-4-enyldisulfanyl)pent-1-ene
CID 85800778
2-Hexenylthio ether
CID 129675554
Dipentenyl trisulfide
CID 129866004
Dihexenyl trisulfide
CID 129866006
3-Ethenyl-3,4-dihydrodithiine 1-oxide
CID 5315238

Frequently Asked Questions

What is the IUPAC name of 5-pent-4-enylsulfanyloxysulfanylpent-1-ene?
The IUPAC name of 5-pent-4-enylsulfanyloxysulfanylpent-1-ene (CID 87216735) is 5-pent-4-enylsulfanyloxysulfanylpent-1-ene.
What is the SMILES notation for 5-pent-4-enylsulfanyloxysulfanylpent-1-ene?
The canonical SMILES for 5-pent-4-enylsulfanyloxysulfanylpent-1-ene is C=CCCCSOSCCCC=C.
What is the InChIKey of 5-pent-4-enylsulfanyloxysulfanylpent-1-ene?
The InChIKey is NVMRZUZKFHWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-3-5-7-9-12-11-13-10-8-6-4-2/h3-4H,1-2,5-10H2.
What are the key properties of 5-pent-4-enylsulfanyloxysulfanylpent-1-ene?
5-pent-4-enylsulfanyloxysulfanylpent-1-ene has a molecular weight of 218.39 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-enylsulfanyloxysulfanylpent-1-ene is sourced from PubChem (CID 87216735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).