triethylplumbyl 3-(furan-2-yl)prop-2-enoate

C13H20O3Pb — CID 53421031

IUPACtriethylplumbyl 3-(furan-2-yl)prop-2-enoate
SMILESCC[Pb](CC)(CC)OC(=O)C=Cc1ccco1
InChIInChI=1S/C7H6O3.3C2H5.Pb/c8-7(9)4-3-6-2-1-5-10-6;3*1-2;/h1-5H,(H,8,9);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyORRCPAQBORGSRM-UHFFFAOYSA-M
MW431.50 g/mol
LogP3.84
Rot. Bonds6

About triethylplumbyl 3-(furan-2-yl)prop-2-enoate

triethylplumbyl 3-(furan-2-yl)prop-2-enoate (PubChem CID 53421031) has the molecular formula C13H20O3Pb and a molecular weight of 431.50 g/mol. Its IUPAC name is triethylplumbyl 3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Nametriethylplumbyl 3-(furan-2-yl)prop-2-enoate
PubChem CID53421031
Molecular FormulaC13H20O3Pb
Molecular Weight431.50 g/mol
Exact Mass432.12
IUPAC Nametriethylplumbyl 3-(furan-2-yl)prop-2-enoate
SMILESCC[Pb](CC)(CC)OC(=O)C=Cc1ccco1
InChIInChI=1S/C7H6O3.3C2H5.Pb/c8-7(9)4-3-6-2-1-5-10-6;3*1-2;/h1-5H,(H,8,9);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyORRCPAQBORGSRM-UHFFFAOYSA-M
XLogP3.84
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid
CID 175907656
CID 59090942
CID 59090942
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010200
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7860502
[4-(4-fluorobenzoyl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7931115
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945

Frequently Asked Questions

What is the IUPAC name of triethylplumbyl 3-(furan-2-yl)prop-2-enoate?
The IUPAC name of triethylplumbyl 3-(furan-2-yl)prop-2-enoate (CID 53421031) is triethylplumbyl 3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for triethylplumbyl 3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for triethylplumbyl 3-(furan-2-yl)prop-2-enoate is CC[Pb](CC)(CC)OC(=O)C=Cc1ccco1.
What is the InChIKey of triethylplumbyl 3-(furan-2-yl)prop-2-enoate?
The InChIKey is ORRCPAQBORGSRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.3C2H5.Pb/c8-7(9)4-3-6-2-1-5-10-6;3*1-2;/h1-5H,(H,8,9);3*1H2,2H3;/q;;;;+1/p-1.
What are the key properties of triethylplumbyl 3-(furan-2-yl)prop-2-enoate?
triethylplumbyl 3-(furan-2-yl)prop-2-enoate has a molecular weight of 431.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylplumbyl 3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 53421031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).