[(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide

C8H14BO3P — CID 139050034

IUPAC[(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide
SMILES[BH3-][P+]12OCC=C[C@@H](C[C@H](C=C)O1)O2
InChIInChI=1S/C8H14BO3P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h2-4,7-8H,1,5-6H2,9H3/t7-,8-,13?/m0/s1
InChIKeyOXEPAUHTIPPJMU-UDUUBDRPSA-N
MW199.98 g/mol
LogP0.98
Rot. Bonds1

About [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide

[(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide (PubChem CID 139050034) has the molecular formula C8H14BO3P and a molecular weight of 199.98 g/mol. Its IUPAC name is [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide.

Molecular Properties

Compound Name[(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide
PubChem CID139050034
Molecular FormulaC8H14BO3P
Molecular Weight199.98 g/mol
Exact Mass200.08
IUPAC Name[(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide
SMILES[BH3-][P+]12OCC=C[C@@H](C[C@H](C=C)O1)O2
InChIInChI=1S/C8H14BO3P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h2-4,7-8H,1,5-6H2,9H3/t7-,8-,13?/m0/s1
InChIKeyOXEPAUHTIPPJMU-UDUUBDRPSA-N
XLogP0.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.98
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide?
The IUPAC name of [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide (CID 139050034) is [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide.
What is the SMILES notation for [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide?
The canonical SMILES for [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide is [BH3-][P+]12OCC=C[C@@H](C[C@H](C=C)O1)O2.
What is the InChIKey of [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide?
The InChIKey is OXEPAUHTIPPJMU-UDUUBDRPSA-N. The full InChI is InChI=1S/C8H14BO3P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h2-4,7-8H,1,5-6H2,9H3/t7-,8-,13?/m0/s1.
What are the key properties of [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide?
[(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide has a molecular weight of 199.98 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,8R)-8-ethenyl-2,9,10-trioxa-1-phosphoniabicyclo[4.3.1]dec-4-en-1-yl]boranuide is sourced from PubChem (CID 139050034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).