λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid

C6H10O4Pb — CID 173454625

IUPACλ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid
SMILESC=C(CC(=O)OC)C(=O)O.[PbH2]
InChIInChI=1S/C6H8O4.Pb.2H/c1-4(6(8)9)3-5(7)10-2;;;/h1,3H2,2H3,(H,8,9);;;
InChIKeyMQMGRVQGPBGZIH-UHFFFAOYSA-N
MW353.34 g/mol
LogP-0.73
Rot. Bonds3

About λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid

λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid (PubChem CID 173454625) has the molecular formula C6H10O4Pb and a molecular weight of 353.34 g/mol. Its IUPAC name is λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid.

Molecular Properties

Compound Nameλ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid
PubChem CID173454625
Molecular FormulaC6H10O4Pb
Molecular Weight353.34 g/mol
Exact Mass354.03
IUPAC Nameλ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid
SMILESC=C(CC(=O)OC)C(=O)O.[PbH2]
InChIInChI=1S/C6H8O4.Pb.2H/c1-4(6(8)9)3-5(7)10-2;;;/h1,3H2,2H3,(H,8,9);;;
InChIKeyMQMGRVQGPBGZIH-UHFFFAOYSA-N
XLogP-0.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-3-methylidenepent-4-enoate
CID 89146578
dipotassium;dimethyl 2-methylidenebutanedioate;hydride
CID 174338040
1-O-amino 4-O-methyl 2-methylidenebutanedioate
CID 163455319
4-methyl-2-methylidenepent-4-enoic acid
CID 22011124
methyl 3-benzoylbut-3-enoate
CID 10845850
2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate
CID 18995564
2-(2-methoxy-2-oxoethyl)-3-methylbut-2-enedioic acid
CID 91076832
CID 87726616
CID 87726616
4-(3-carboxybut-3-enoyloxy)-3-methyl-2-methylidene-4-oxobutanoic acid
CID 175319500
2-methylidenebutanedioic acid;zirconium
CID 158245785
ethane;3-methoxy-3-oxopropanoic acid
CID 91567189
methane;2-methylidenebutanedioic acid
CID 158038738

Frequently Asked Questions

What is the IUPAC name of λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid?
The IUPAC name of λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid (CID 173454625) is λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid.
What is the SMILES notation for λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid?
The canonical SMILES for λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid is C=C(CC(=O)OC)C(=O)O.[PbH2].
What is the InChIKey of λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid?
The InChIKey is MQMGRVQGPBGZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4.Pb.2H/c1-4(6(8)9)3-5(7)10-2;;;/h1,3H2,2H3,(H,8,9);;;.
What are the key properties of λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid?
λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid has a molecular weight of 353.34 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid is sourced from PubChem (CID 173454625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).