[diacetyloxy(2-phenylethynyl)plumbyl] acetate

C14H14O6Pb — CID 16688007

IUPAC[diacetyloxy(2-phenylethynyl)plumbyl] acetate
SMILESCC(=O)O[Pb](C#Cc1ccccc1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H5.3C2H4O2.Pb/c1-2-8-6-4-3-5-7-8;3*1-2(3)4;/h3-7H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyIZDVLOBVUBCSTG-UHFFFAOYSA-K
MW485.46 g/mol
LogP1.21
Rot. Bonds3

About [diacetyloxy(2-phenylethynyl)plumbyl] acetate

[diacetyloxy(2-phenylethynyl)plumbyl] acetate (PubChem CID 16688007) has the molecular formula C14H14O6Pb and a molecular weight of 485.46 g/mol. Its IUPAC name is [diacetyloxy(2-phenylethynyl)plumbyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(2-phenylethynyl)plumbyl] acetate
PubChem CID16688007
Molecular FormulaC14H14O6Pb
Molecular Weight485.46 g/mol
Exact Mass486.06
IUPAC Name[diacetyloxy(2-phenylethynyl)plumbyl] acetate
SMILESCC(=O)O[Pb](C#Cc1ccccc1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H5.3C2H4O2.Pb/c1-2-8-6-4-3-5-7-8;3*1-2(3)4;/h3-7H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyIZDVLOBVUBCSTG-UHFFFAOYSA-K
XLogP1.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [diacetyloxy(2-phenylethynyl)plumbyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenylbut-1-en-3-yn-2-yl acetate
CID 15864474
[diacetyloxy(2-phenylethynyl)silyl] acetate
CID 18410611
(2-oxo-4-phenylbut-3-ynyl) acetate
CID 146011375
(3R)-3-methyl-5-phenylpent-4-yn-2-one
CID 158222149
[3-acetyloxy-5-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] acetate
CID 129303354
3-(1,5-diphenylpenta-1,4-diyn-3-yl)pentane-2,4-dione
CID 134843042
1,1-bis[4-(2-phenylethynyl)phenyl]propan-2-one
CID 69456780
[3-methoxy-5-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] acetate
CID 129303356
(4,4-dimethyl-1-phenylpent-1-yn-3-yl) acetate
CID 11345245
(4S)-4-methyl-6-phenylhex-5-yn-2-one
CID 138979864
(4S)-4-hydroxy-6-phenylhex-5-yn-2-one
CID 130635679
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(2-phenylethynyl)plumbyl] acetate?
The IUPAC name of [diacetyloxy(2-phenylethynyl)plumbyl] acetate (CID 16688007) is [diacetyloxy(2-phenylethynyl)plumbyl] acetate.
What is the SMILES notation for [diacetyloxy(2-phenylethynyl)plumbyl] acetate?
The canonical SMILES for [diacetyloxy(2-phenylethynyl)plumbyl] acetate is CC(=O)O[Pb](C#Cc1ccccc1)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(2-phenylethynyl)plumbyl] acetate?
The InChIKey is IZDVLOBVUBCSTG-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H5.3C2H4O2.Pb/c1-2-8-6-4-3-5-7-8;3*1-2(3)4;/h3-7H;3*1H3,(H,3,4);/q;;;;+3/p-3.
What are the key properties of [diacetyloxy(2-phenylethynyl)plumbyl] acetate?
[diacetyloxy(2-phenylethynyl)plumbyl] acetate has a molecular weight of 485.46 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(2-phenylethynyl)plumbyl] acetate is sourced from PubChem (CID 16688007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).