diacetyloxy(triphenyl)bismuth

C22H21BiO4 — CID 16684857

IUPACdiacetyloxy(triphenyl)bismuth
SMILESCC(=O)O[Bi](OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.2C2H4O2.Bi/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyUXYBKDNBDQNDNV-UHFFFAOYSA-L
MW558.39 g/mol
LogP2.23
Rot. Bonds5

About diacetyloxy(triphenyl)bismuth

diacetyloxy(triphenyl)bismuth (PubChem CID 16684857) has the molecular formula C22H21BiO4 and a molecular weight of 558.39 g/mol. Its IUPAC name is diacetyloxy(triphenyl)bismuth.

Molecular Properties

Compound Namediacetyloxy(triphenyl)bismuth
PubChem CID16684857
Molecular FormulaC22H21BiO4
Molecular Weight558.39 g/mol
Exact Mass558.12
IUPAC Namediacetyloxy(triphenyl)bismuth
SMILESCC(=O)O[Bi](OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.2C2H4O2.Bi/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyUXYBKDNBDQNDNV-UHFFFAOYSA-L
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diacetyloxy(triphenyl)bismuth?
The IUPAC name of diacetyloxy(triphenyl)bismuth (CID 16684857) is diacetyloxy(triphenyl)bismuth.
What is the SMILES notation for diacetyloxy(triphenyl)bismuth?
The canonical SMILES for diacetyloxy(triphenyl)bismuth is CC(=O)O[Bi](OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diacetyloxy(triphenyl)bismuth?
The InChIKey is UXYBKDNBDQNDNV-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H5.2C2H4O2.Bi/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2.
What are the key properties of diacetyloxy(triphenyl)bismuth?
diacetyloxy(triphenyl)bismuth has a molecular weight of 558.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diacetyloxy(triphenyl)bismuth is sourced from PubChem (CID 16684857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).