(20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene

C20H34S4 — CID 72734908

IUPAC(20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene
SMILESC1=C/CCCC2(CCCCC3(CCC/1)SCCCS3)SCCCS2
InChIInChI=1S/C20H34S4/c1-2-4-6-12-20(23-17-10-18-24-20)14-8-7-13-19(11-5-3-1)21-15-9-16-22-19/h1-2H,3-18H2/b2-1+
InChIKeyWGYPZGIDIGTFOQ-OWOJBTEDSA-N
MW402.76 g/mol
LogP7.59
Rot. Bonds

About (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene

(20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene (PubChem CID 72734908) has the molecular formula C20H34S4 and a molecular weight of 402.76 g/mol. Its IUPAC name is (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene.

Molecular Properties

Compound Name(20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene
PubChem CID72734908
Molecular FormulaC20H34S4
Molecular Weight402.76 g/mol
Exact Mass402.15
IUPAC Name(20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene
SMILESC1=C/CCCC2(CCCCC3(CCC/1)SCCCS3)SCCCS2
InChIInChI=1S/C20H34S4/c1-2-4-6-12-20(23-17-10-18-24-20)14-8-7-13-19(11-5-3-1)21-15-9-16-22-19/h1-2H,3-18H2/b2-1+
InChIKeyWGYPZGIDIGTFOQ-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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Frequently Asked Questions

What is the IUPAC name of (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene?
The IUPAC name of (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene (CID 72734908) is (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene.
What is the SMILES notation for (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene?
The canonical SMILES for (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene is C1=C/CCCC2(CCCCC3(CCC/1)SCCCS3)SCCCS2.
What is the InChIKey of (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene?
The InChIKey is WGYPZGIDIGTFOQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H34S4/c1-2-4-6-12-20(23-17-10-18-24-20)14-8-7-13-19(11-5-3-1)21-15-9-16-22-19/h1-2H,3-18H2/b2-1+.
What are the key properties of (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene?
(20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-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 (20E)-1,5,12,16-tetrathiadispiro[5.4.511.86]tetracos-20-ene is sourced from PubChem (CID 72734908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).