1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane

C22H40S4 — CID 72734913

IUPAC1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane
SMILESC1CCCCCC2(CCCC3(CCCCC1)SCCCS3)SCCCS2
InChIInChI=1S/C22H40S4/c1-2-4-6-8-13-21(23-17-11-18-24-21)15-10-16-22(14-9-7-5-3-1)25-19-12-20-26-22/h1-20H2
InChIKeyLRVOJDKCFGYQCJ-UHFFFAOYSA-N
MW432.83 g/mol
LogP8.59
Rot. Bonds

About 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane

1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane (PubChem CID 72734913) has the molecular formula C22H40S4 and a molecular weight of 432.83 g/mol. Its IUPAC name is 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane.

Molecular Properties

Compound Name1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane
PubChem CID72734913
Molecular FormulaC22H40S4
Molecular Weight432.83 g/mol
Exact Mass432.20
IUPAC Name1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane
SMILESC1CCCCCC2(CCCC3(CCCCC1)SCCCS3)SCCCS2
InChIInChI=1S/C22H40S4/c1-2-4-6-8-13-21(23-17-11-18-24-21)15-10-16-22(14-9-7-5-3-1)25-19-12-20-26-22/h1-20H2
InChIKeyLRVOJDKCFGYQCJ-UHFFFAOYSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.83
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane?
The IUPAC name of 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane (CID 72734913) is 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane.
What is the SMILES notation for 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane?
The canonical SMILES for 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane is C1CCCCCC2(CCCC3(CCCCC1)SCCCS3)SCCCS2.
What is the InChIKey of 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane?
The InChIKey is LRVOJDKCFGYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40S4/c1-2-4-6-8-13-21(23-17-11-18-24-21)15-10-16-22(14-9-7-5-3-1)25-19-12-20-26-22/h1-20H2.
What are the key properties of 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane?
1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane has a molecular weight of 432.83 g/mol, XLogP of 8.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,11,15-tetrathiadispiro[5.3.510.116]hexacosane is sourced from PubChem (CID 72734913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).