λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate

C17H18O2Pb — CID 173366495

IUPACλ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate
SMILESCC(C(=O)Oc1ccccc1)=C(C)c1ccccc1.[PbH2]
InChIInChI=1S/C17H16O2.Pb.2H/c1-13(15-9-5-3-6-10-15)14(2)17(18)19-16-11-7-4-8-12-16;;;/h3-12H,1-2H3;;;
InChIKeyXIZGBQSPGXLHGC-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.17
Rot. Bonds3

About λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate

λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate (PubChem CID 173366495) has the molecular formula C17H18O2Pb and a molecular weight of 461.53 g/mol. Its IUPAC name is λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate.

Molecular Properties

Compound Nameλ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate
PubChem CID173366495
Molecular FormulaC17H18O2Pb
Molecular Weight461.53 g/mol
Exact Mass462.11
IUPAC Nameλ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate
SMILESCC(C(=O)Oc1ccccc1)=C(C)c1ccccc1.[PbH2]
InChIInChI=1S/C17H16O2.Pb.2H/c1-13(15-9-5-3-6-10-15)14(2)17(18)19-16-11-7-4-8-12-16;;;/h3-12H,1-2H3;;;
InChIKeyXIZGBQSPGXLHGC-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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CID 91296583
CID 91296583
2-O-chloro 1-O-phenyl oxalate
CID 54251565
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
phenyl acetate;hydroiodide
CID 172788123
cobalt(2+);phenyl benzoate;diacetate
CID 163661272
dimethoxyphosphoryl (Z)-2-methyl-3-phenylbut-2-enoate
CID 67626799
lithium;hydride;phenyl acetate
CID 173276859
sodium;hydride;phenyl acetate
CID 159991718
diphenyl carbonate;phenyl acetate
CID 90936233

Frequently Asked Questions

What is the IUPAC name of λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate?
The IUPAC name of λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate (CID 173366495) is λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate.
What is the SMILES notation for λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate?
The canonical SMILES for λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate is CC(C(=O)Oc1ccccc1)=C(C)c1ccccc1.[PbH2].
What is the InChIKey of λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate?
The InChIKey is XIZGBQSPGXLHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2.Pb.2H/c1-13(15-9-5-3-6-10-15)14(2)17(18)19-16-11-7-4-8-12-16;;;/h3-12H,1-2H3;;;.
What are the key properties of λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate?
λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate has a molecular weight of 461.53 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate is sourced from PubChem (CID 173366495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).