6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene

C16H22OS2 — CID 23851969

IUPAC6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene
SMILESC1=CC2CCC(OC3CCC4C=CCC3S4)C(C1)S2
InChIInChI=1S/C16H22OS2/c1-3-11-7-9-13(15(5-1)18-11)17-14-10-8-12-4-2-6-16(14)19-12/h1-4,11-16H,5-10H2
InChIKeyPFPAMBCZFOTGPH-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.19
Rot. Bonds2

About 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene

6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene (PubChem CID 23851969) has the molecular formula C16H22OS2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene
PubChem CID23851969
Molecular FormulaC16H22OS2
Molecular Weight294.48 g/mol
Exact Mass294.11
IUPAC Name6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene
SMILESC1=CC2CCC(OC3CCC4C=CCC3S4)C(C1)S2
InChIInChI=1S/C16H22OS2/c1-3-11-7-9-13(15(5-1)18-11)17-14-10-8-12-4-2-6-16(14)19-12/h1-4,11-16H,5-10H2
InChIKeyPFPAMBCZFOTGPH-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene?
The IUPAC name of 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene (CID 23851969) is 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene is C1=CC2CCC(OC3CCC4C=CCC3S4)C(C1)S2.
What is the InChIKey of 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene?
The InChIKey is PFPAMBCZFOTGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS2/c1-3-11-7-9-13(15(5-1)18-11)17-14-10-8-12-4-2-6-16(14)19-12/h1-4,11-16H,5-10H2.
What are the key properties of 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene?
6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene has a molecular weight of 294.48 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-thiabicyclo[3.3.1]non-6-en-2-yloxy)-9-thiabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 23851969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).