benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate

C14H19BF4Rh — CID 157481687

IUPACbenzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate
SMILESC1=CCCCCC=C1.F[B-](F)(F)F.[H+].[Rh].c1ccccc1
InChIInChI=1S/C8H12.C6H6.BF4.Rh/c1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;2-1(3,4)5;/h1-4H,5-8H2;1-6H;;/q;;-1;/p+1
InChIKeyZXNBBWGTBRNBGO-UHFFFAOYSA-O
MW377.02 g/mol
LogP5.77
Rot. Bonds

About benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate

benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate (PubChem CID 157481687) has the molecular formula C14H19BF4Rh and a molecular weight of 377.02 g/mol. Its IUPAC name is benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate.

Molecular Properties

Compound Namebenzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate
PubChem CID157481687
Molecular FormulaC14H19BF4Rh
Molecular Weight377.02 g/mol
Exact Mass377.06
IUPAC Namebenzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate
SMILESC1=CCCCCC=C1.F[B-](F)(F)F.[H+].[Rh].c1ccccc1
InChIInChI=1S/C8H12.C6H6.BF4.Rh/c1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;2-1(3,4)5;/h1-4H,5-8H2;1-6H;;/q;;-1;/p+1
InChIKeyZXNBBWGTBRNBGO-UHFFFAOYSA-O
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.02
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cycloocta-1,3-diene;nickel(2+);ditetrafluoroborate
CID 173357014
(1E,3E)-cycloocta-1,3-diene
CID 6330372
cycloocta-1,3-diene;fluoroform;rhodium
CID 158733559
(1E,3E)-cycloundeca-1,3-diene
CID 12636669
(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 173020706
(1Z,3E,5E,7Z,9E)-cyclotetradeca-1,3,5,7,9-pentaene
CID 173043953
(3Z)-cyclodocosa-1,3-diene
CID 173020815
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220
cyclooctadeca-1,3-diene
CID 54378792
(1Z)-cyclononadeca-1,3-diene
CID 173020870
cyclotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91803237
(1Z)-cyclononacosa-1,3-diene
CID 162365218

Frequently Asked Questions

What is the IUPAC name of benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate?
The IUPAC name of benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate (CID 157481687) is benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate.
What is the SMILES notation for benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate?
The canonical SMILES for benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate is C1=CCCCCC=C1.F[B-](F)(F)F.[H+].[Rh].c1ccccc1.
What is the InChIKey of benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate?
The InChIKey is ZXNBBWGTBRNBGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12.C6H6.BF4.Rh/c1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;2-1(3,4)5;/h1-4H,5-8H2;1-6H;;/q;;-1;/p+1.
What are the key properties of benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate?
benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate has a molecular weight of 377.02 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cycloocta-1,3-diene;hydron;rhodium;tetrafluoroborate is sourced from PubChem (CID 157481687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).