cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate

C11H16F3O5RhS- — CID 157103803

IUPACcyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate
SMILESC1=CCCC=C=CCCC=1.O.O.O=S(=O)([O-])C(F)(F)F.[Rh]
InChIInChI=1S/C10H12.CHF3O3S.2H2O.Rh/c1-2-4-6-8-10-9-7-5-3-1;2-1(3,4)8(5,6)7;;;/h1,5-6,10H,2,4,7,9H2;(H,5,6,7);2*1H2;/p-1
InChIKeyUDPUZRDVOCYDBM-UHFFFAOYSA-M
MW420.21 g/mol
LogP1.38
Rot. Bonds

About cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate

cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate (PubChem CID 157103803) has the molecular formula C11H16F3O5RhS- and a molecular weight of 420.21 g/mol. Its IUPAC name is cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate.

Molecular Properties

Compound Namecyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate
PubChem CID157103803
Molecular FormulaC11H16F3O5RhS-
Molecular Weight420.21 g/mol
Exact Mass419.97
IUPAC Namecyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate
SMILESC1=CCCC=C=CCCC=1.O.O.O=S(=O)([O-])C(F)(F)F.[Rh]
InChIInChI=1S/C10H12.CHF3O3S.2H2O.Rh/c1-2-4-6-8-10-9-7-5-3-1;2-1(3,4)8(5,6)7;;;/h1,5-6,10H,2,4,7,9H2;(H,5,6,7);2*1H2;/p-1
InChIKeyUDPUZRDVOCYDBM-UHFFFAOYSA-M
XLogP1.38
TPSA120.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate 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 cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate?
The IUPAC name of cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate (CID 157103803) is cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate.
What is the SMILES notation for cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate?
The canonical SMILES for cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate is C1=CCCC=C=CCCC=1.O.O.O=S(=O)([O-])C(F)(F)F.[Rh].
What is the InChIKey of cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate?
The InChIKey is UDPUZRDVOCYDBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12.CHF3O3S.2H2O.Rh/c1-2-4-6-8-10-9-7-5-3-1;2-1(3,4)8(5,6)7;;;/h1,5-6,10H,2,4,7,9H2;(H,5,6,7);2*1H2;/p-1.
What are the key properties of cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate?
cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate has a molecular weight of 420.21 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodeca-1,2,6,7-tetraene;rhodium;trifluoromethanesulfonate;dihydrate is sourced from PubChem (CID 157103803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).