diacetyloxy-tris(4-methylphenyl)bismuth

C25H27BiO4 — CID 16688649

IUPACdiacetyloxy-tris(4-methylphenyl)bismuth
SMILESCC(=O)O[Bi](OC(C)=O)(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/3C7H7.2C2H4O2.Bi/c3*1-7-5-3-2-4-6-7;2*1-2(3)4;/h3*3-6H,1H3;2*1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyXWZLVNSLJPRGDB-UHFFFAOYSA-L
MW600.47 g/mol
LogP3.16
Rot. Bonds5

About diacetyloxy-tris(4-methylphenyl)bismuth

diacetyloxy-tris(4-methylphenyl)bismuth (PubChem CID 16688649) has the molecular formula C25H27BiO4 and a molecular weight of 600.47 g/mol. Its IUPAC name is diacetyloxy-tris(4-methylphenyl)bismuth.

Molecular Properties

Compound Namediacetyloxy-tris(4-methylphenyl)bismuth
PubChem CID16688649
Molecular FormulaC25H27BiO4
Molecular Weight600.47 g/mol
Exact Mass600.17
IUPAC Namediacetyloxy-tris(4-methylphenyl)bismuth
SMILESCC(=O)O[Bi](OC(C)=O)(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/3C7H7.2C2H4O2.Bi/c3*1-7-5-3-2-4-6-7;2*1-2(3)4;/h3*3-6H,1H3;2*1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyXWZLVNSLJPRGDB-UHFFFAOYSA-L
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fentin acetate
CID 16682804
Bis(acetato-O-)triphenylantimony
CID 16683106
Triphenylplumbyl acetate
CID 16682953
Acetic acid;triphenylstibane
CID 24195324
Phosphonium, ethyltris(4-methylphenyl)-, acetate (1:1)
CID 18544204
Triphenyltin hydroxide acetate
CID 9909408
Stannane, acetoxytris(beta,beta-dimethylphenethyl)-
CID 16684204
Tribenzyltin acetate
CID 16683337
Tris(4-methylphenyl)bismuthine
CID 340259
(Acetyloxy)(triphenyl)germane
CID 16682782
Diacetoxydibenzylstannane
CID 16683691
Stannane, formyloxytribenzyl-
CID 16684371

Frequently Asked Questions

What is the IUPAC name of diacetyloxy-tris(4-methylphenyl)bismuth?
The IUPAC name of diacetyloxy-tris(4-methylphenyl)bismuth (CID 16688649) is diacetyloxy-tris(4-methylphenyl)bismuth.
What is the SMILES notation for diacetyloxy-tris(4-methylphenyl)bismuth?
The canonical SMILES for diacetyloxy-tris(4-methylphenyl)bismuth is CC(=O)O[Bi](OC(C)=O)(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of diacetyloxy-tris(4-methylphenyl)bismuth?
The InChIKey is XWZLVNSLJPRGDB-UHFFFAOYSA-L. The full InChI is InChI=1S/3C7H7.2C2H4O2.Bi/c3*1-7-5-3-2-4-6-7;2*1-2(3)4;/h3*3-6H,1H3;2*1H3,(H,3,4);/q;;;;;+2/p-2.
What are the key properties of diacetyloxy-tris(4-methylphenyl)bismuth?
diacetyloxy-tris(4-methylphenyl)bismuth has a molecular weight of 600.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diacetyloxy-tris(4-methylphenyl)bismuth is sourced from PubChem (CID 16688649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).