(19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene

C20H34S4 — CID 72734907

IUPAC(19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene
SMILESC1=C/CCCCC2(CCC3(CCCC/1)SCCCS3)SCCCS2
InChIInChI=1S/C20H34S4/c1-2-4-6-8-12-20(23-17-10-18-24-20)14-13-19(11-7-5-3-1)21-15-9-16-22-19/h1-2H,3-18H2/b2-1+
InChIKeyGCJAFWNOJXCMGX-OWOJBTEDSA-N
MW402.76 g/mol
LogP7.59
Rot. Bonds

About (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene

(19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene (PubChem CID 72734907) has the molecular formula C20H34S4 and a molecular weight of 402.76 g/mol. Its IUPAC name is (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene.

Molecular Properties

Compound Name(19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene
PubChem CID72734907
Molecular FormulaC20H34S4
Molecular Weight402.76 g/mol
Exact Mass402.15
IUPAC Name(19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene
SMILESC1=C/CCCCC2(CCC3(CCCC/1)SCCCS3)SCCCS2
InChIInChI=1S/C20H34S4/c1-2-4-6-8-12-20(23-17-10-18-24-20)14-13-19(11-7-5-3-1)21-15-9-16-22-19/h1-2H,3-18H2/b2-1+
InChIKeyGCJAFWNOJXCMGX-OWOJBTEDSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.76
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene
CID 72734908
(21E)-1,5,12,16-tetrathiadispiro[5.4.511.106]hexacos-21-ene
CID 72734910
3-Hexene, 1,6-bis(1,3-dithiane-2-yl)-
CID 5370838
10-Pent-4-enyl-1,5-dithiaspiro[5.5]undec-10-ene
CID 177474425
1,4-Dithiacycloicosa-7,17-diene
CID 67674430
(Z)-1-(11-dec-2-enylsulfanyl-11-dodec-2-enylsulfanyl-11-non-2-enylsulfanyl-1-oct-2-enylsulfanyl-1-tridec-11-enylsulfanylundec-2-enyl)sulfanyltetradec-2-ene-1-thiol
CID 88698142
2-[(Z)-tetradec-7-enyl]-1,3-dithiane
CID 139963111
2,2-bis[(Z)-oct-2-enyl]-1,3-dithiane
CID 10664911
2-[(Z)-dodec-5-enyl]-2-methyl-1,3-dithiane
CID 11208824
2-(Dodec-5-EN-1-YL)-2-methyl-1,3-dithiane
CID 71441347
(20E)-1,5,11,15-tetrathiadispiro[5.3.510.116]hexacos-20-ene
CID 72734909
2-[3-(1,3-Dithian-2-yl)propyl]-2-hex-5-enyl-1,3-dithiane
CID 72737616

Frequently Asked Questions

What is the IUPAC name of (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene?
The IUPAC name of (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene (CID 72734907) is (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene.
What is the SMILES notation for (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene?
The canonical SMILES for (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene is C1=C/CCCCC2(CCC3(CCCC/1)SCCCS3)SCCCS2.
What is the InChIKey of (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene?
The InChIKey is GCJAFWNOJXCMGX-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H34S4/c1-2-4-6-8-12-20(23-17-10-18-24-20)14-13-19(11-7-5-3-1)21-15-9-16-22-19/h1-2H,3-18H2/b2-1+.
What are the key properties of (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene?
(19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene has a molecular weight of 402.76 g/mol, XLogP of 7.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (19E)-1,5,10,14-tetrathiadispiro[5.2.59.106]tetracos-19-ene is sourced from PubChem (CID 72734907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).