(1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate

C18H34BF4N2Rh- — CID 11081138

IUPAC(1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.C1CCNCC1.C1CCNCC1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C8H12.2C5H11N.BF4.Rh/c1-2-4-6-8-7-5-3-1;2*1-2-4-6-5-3-1;2-1(3,4)5;/h1-2,7-8H,3-6H2;2*6H,1-5H2;;/q;;;-1;/b2-1-,8-7-;;;;
InChIKeyWWLZAPDZKAEHJQ-SUESZSCISA-N
MW468.19 g/mol
LogP5.49
Rot. Bonds

About (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate

(1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate (PubChem CID 11081138) has the molecular formula C18H34BF4N2Rh- and a molecular weight of 468.19 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate
PubChem CID11081138
Molecular FormulaC18H34BF4N2Rh-
Molecular Weight468.19 g/mol
Exact Mass468.18
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.C1CCNCC1.C1CCNCC1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C8H12.2C5H11N.BF4.Rh/c1-2-4-6-8-7-5-3-1;2*1-2-4-6-5-3-1;2-1(3,4)5;/h1-2,7-8H,3-6H2;2*6H,1-5H2;;/q;;;-1;/b2-1-,8-7-;;;;
InChIKeyWWLZAPDZKAEHJQ-SUESZSCISA-N
XLogP5.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.19
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate (CID 11081138) is (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate is C1=C\CC/C=C\CC/1.C1CCNCC1.C1CCNCC1.F[B-](F)(F)F.[Rh].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate?
The InChIKey is WWLZAPDZKAEHJQ-SUESZSCISA-N. The full InChI is InChI=1S/C8H12.2C5H11N.BF4.Rh/c1-2-4-6-8-7-5-3-1;2*1-2-4-6-5-3-1;2-1(3,4)5;/h1-2,7-8H,3-6H2;2*6H,1-5H2;;/q;;;-1;/b2-1-,8-7-;;;;.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate?
(1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate has a molecular weight of 468.19 g/mol, XLogP of 5.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate is sourced from PubChem (CID 11081138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).