cycloocta-1,5-diene;hydron;tetrafluoroborate

C8H13BF4 — CID 157198671

IUPACcycloocta-1,5-diene;hydron;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C8H12.BF4/c1-2-4-6-8-7-5-3-1;2-1(3,4)5/h1-2,7-8H,3-6H2;/q;-1/p+1
InChIKeyAQNUZABOYQHSNA-UHFFFAOYSA-O
MW196.00 g/mol
LogP4.09
Rot. Bonds

About cycloocta-1,5-diene;hydron;tetrafluoroborate

cycloocta-1,5-diene;hydron;tetrafluoroborate (PubChem CID 157198671) has the molecular formula C8H13BF4 and a molecular weight of 196.00 g/mol. Its IUPAC name is cycloocta-1,5-diene;hydron;tetrafluoroborate.

Molecular Properties

Compound Namecycloocta-1,5-diene;hydron;tetrafluoroborate
PubChem CID157198671
Molecular FormulaC8H13BF4
Molecular Weight196.00 g/mol
Exact Mass196.10
IUPAC Namecycloocta-1,5-diene;hydron;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C8H12.BF4/c1-2-4-6-8-7-5-3-1;2-1(3,4)5/h1-2,7-8H,3-6H2;/q;-1/p+1
InChIKeyAQNUZABOYQHSNA-UHFFFAOYSA-O
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.00
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;hydron;tetrafluoroborate?
The IUPAC name of cycloocta-1,5-diene;hydron;tetrafluoroborate (CID 157198671) is cycloocta-1,5-diene;hydron;tetrafluoroborate.
What is the SMILES notation for cycloocta-1,5-diene;hydron;tetrafluoroborate?
The canonical SMILES for cycloocta-1,5-diene;hydron;tetrafluoroborate is C1=CCCC=CCC1.F[B-](F)(F)F.[H+].
What is the InChIKey of cycloocta-1,5-diene;hydron;tetrafluoroborate?
The InChIKey is AQNUZABOYQHSNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12.BF4/c1-2-4-6-8-7-5-3-1;2-1(3,4)5/h1-2,7-8H,3-6H2;/q;-1/p+1.
What are the key properties of cycloocta-1,5-diene;hydron;tetrafluoroborate?
cycloocta-1,5-diene;hydron;tetrafluoroborate has a molecular weight of 196.00 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;hydron;tetrafluoroborate is sourced from PubChem (CID 157198671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).