1,4-dithiadispiro[4.1.57.35]pentadec-8-ene

C13H20S2 — CID 87210620

IUPAC1,4-dithiadispiro[4.1.57.35]pentadec-8-ene
SMILESC1=CC2(CCC1)CCCC1(C2)SCCS1
InChIInChI=1S/C13H20S2/c1-2-5-12(6-3-1)7-4-8-13(11-12)14-9-10-15-13/h2,5H,1,3-4,6-11H2
InChIKeyRYXKHRQOPMFGHL-UHFFFAOYSA-N
MW240.44 g/mol
LogP4.46
Rot. Bonds

About 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene

1,4-dithiadispiro[4.1.57.35]pentadec-8-ene (PubChem CID 87210620) has the molecular formula C13H20S2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene.

Molecular Properties

Compound Name1,4-dithiadispiro[4.1.57.35]pentadec-8-ene
PubChem CID87210620
Molecular FormulaC13H20S2
Molecular Weight240.44 g/mol
Exact Mass240.10
IUPAC Name1,4-dithiadispiro[4.1.57.35]pentadec-8-ene
SMILESC1=CC2(CCC1)CCCC1(C2)SCCS1
InChIInChI=1S/C13H20S2/c1-2-5-12(6-3-1)7-4-8-13(11-12)14-9-10-15-13/h2,5H,1,3-4,6-11H2
InChIKeyRYXKHRQOPMFGHL-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene?
The IUPAC name of 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene (CID 87210620) is 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene.
What is the SMILES notation for 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene?
The canonical SMILES for 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene is C1=CC2(CCC1)CCCC1(C2)SCCS1.
What is the InChIKey of 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene?
The InChIKey is RYXKHRQOPMFGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S2/c1-2-5-12(6-3-1)7-4-8-13(11-12)14-9-10-15-13/h2,5H,1,3-4,6-11H2.
What are the key properties of 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene?
1,4-dithiadispiro[4.1.57.35]pentadec-8-ene has a molecular weight of 240.44 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithiadispiro[4.1.57.35]pentadec-8-ene is sourced from PubChem (CID 87210620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).