4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane

C10H16S8 — CID 22621476

IUPAC4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane
SMILESCC1CSC23SCC(C)SSC2SC(CS3)SS1
InChIInChI=1S/C10H16S8/c1-6-3-11-10-9(18-16-7(2)4-12-10)14-8(5-13-10)17-15-6/h6-9H,3-5H2,1-2H3
InChIKeyPVDDHXLLWJZFTH-UHFFFAOYSA-N
MW392.77 g/mol
LogP5.81
Rot. Bonds

About 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane

4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane (PubChem CID 22621476) has the molecular formula C10H16S8 and a molecular weight of 392.77 g/mol. Its IUPAC name is 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane.

Molecular Properties

Compound Name4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane
PubChem CID22621476
Molecular FormulaC10H16S8
Molecular Weight392.77 g/mol
Exact Mass391.90
IUPAC Name4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane
SMILESCC1CSC23SCC(C)SSC2SC(CS3)SS1
InChIInChI=1S/C10H16S8/c1-6-3-11-10-9(18-16-7(2)4-12-10)14-8(5-13-10)17-15-6/h6-9H,3-5H2,1-2H3
InChIKeyPVDDHXLLWJZFTH-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.77
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane?
The IUPAC name of 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane (CID 22621476) is 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane.
What is the SMILES notation for 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane?
The canonical SMILES for 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane is CC1CSC23SCC(C)SSC2SC(CS3)SS1.
What is the InChIKey of 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane?
The InChIKey is PVDDHXLLWJZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S8/c1-6-3-11-10-9(18-16-7(2)4-12-10)14-8(5-13-10)17-15-6/h6-9H,3-5H2,1-2H3.
What are the key properties of 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane?
4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane has a molecular weight of 392.77 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dimethyl-2,5,6,8,10,11,14,15-octathiatricyclo[7.5.2.01,7]hexadecane is sourced from PubChem (CID 22621476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).