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

C16H26BF4ORh- — CID 134128809

IUPACbis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate
SMILESC1=CCC/C=C\CC1.C1=CCC/C=C\CC1.F[B-](F)(F)F.O.[Rh]
InChIInChI=1S/2C8H12.BF4.H2O.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*1-2,7-8H,3-6H2;;1H2;/q;;-1;;/b2*2-1-,8-7?;;;
InChIKeyRVVSQTPAHKVLPL-SXGRVCRXSA-N
MW424.09 g/mol
LogP5.82
Rot. Bonds

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

bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate (PubChem CID 134128809) has the molecular formula C16H26BF4ORh- and a molecular weight of 424.09 g/mol. Its IUPAC name is bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate.

Molecular Properties

Compound Namebis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate
PubChem CID134128809
Molecular FormulaC16H26BF4ORh-
Molecular Weight424.09 g/mol
Exact Mass424.11
IUPAC Namebis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate
SMILESC1=CCC/C=C\CC1.C1=CCC/C=C\CC1.F[B-](F)(F)F.O.[Rh]
InChIInChI=1S/2C8H12.BF4.H2O.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*1-2,7-8H,3-6H2;;1H2;/q;;-1;;/b2*2-1-,8-7?;;;
InChIKeyRVVSQTPAHKVLPL-SXGRVCRXSA-N
XLogP5.82
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.09
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate
CID 5702646
Rhodium(1+), bis((1,2,5,6-eta)-1,5-cyclooctadiene)-, tetrafluoroborate(1-) (1:1)
CID 5702662
Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate hydrate
CID 16212128
Bis(1 5-cyclooctadiene)rhodium(I)
CID 92002603
Bis(1,5-cyclooctadiene)rhodium(I) hexafluoroantimonate
CID 16688726
Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
CID 2734867
Bis(cycloocta-1,5-diene);hexafluoroantimony(1-);rhodium
CID 16689296
bis((5Z)-cycloocta-1,5-diene);hexafluoroantimony(1-);rhodium
CID 170906947
bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate
CID 12028844
Bis(1,5-cyclooctadiene)iridium (I) tetrafluoroborate
CID 2734561
Bis(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate
CID 74787731
bis((5Z)-cycloocta-1,5-diene);iridium;tetrafluoroborate
CID 92132754

Frequently Asked Questions

What is the IUPAC name of bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate?
The IUPAC name of bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate (CID 134128809) is bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate.
What is the SMILES notation for bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate?
The canonical SMILES for bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate is C1=CCC/C=C\CC1.C1=CCC/C=C\CC1.F[B-](F)(F)F.O.[Rh].
What is the InChIKey of bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate?
The InChIKey is RVVSQTPAHKVLPL-SXGRVCRXSA-N. The full InChI is InChI=1S/2C8H12.BF4.H2O.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*1-2,7-8H,3-6H2;;1H2;/q;;-1;;/b2*2-1-,8-7?;;;.
What are the key properties of bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate?
bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate has a molecular weight of 424.09 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate is sourced from PubChem (CID 134128809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).