(Z)-2,3-dibutylbut-2-enedioate;lead(2+)

C12H18O4Pb — CID 88732061

IUPAC(Z)-2,3-dibutylbut-2-enedioate;lead(2+)
SMILESCCCC/C(C(=O)[O-])=C(\CCCC)C(=O)[O-].[Pb+2]
InChIInChI=1S/C12H20O4.Pb/c1-3-5-7-9(11(13)14)10(12(15)16)8-6-4-2;/h3-8H2,1-2H3,(H,13,14)(H,15,16);/q;+2/p-2/b10-9-;
InChIKeyGKTLJJLUGQKYLQ-KVVVOXFISA-L
MW433.47 g/mol
LogP-0.22
Rot. Bonds8

About (Z)-2,3-dibutylbut-2-enedioate;lead(2+)

(Z)-2,3-dibutylbut-2-enedioate;lead(2+) (PubChem CID 88732061) has the molecular formula C12H18O4Pb and a molecular weight of 433.47 g/mol. Its IUPAC name is (Z)-2,3-dibutylbut-2-enedioate;lead(2+).

Molecular Properties

Compound Name(Z)-2,3-dibutylbut-2-enedioate;lead(2+)
PubChem CID88732061
Molecular FormulaC12H18O4Pb
Molecular Weight433.47 g/mol
Exact Mass434.10
IUPAC Name(Z)-2,3-dibutylbut-2-enedioate;lead(2+)
SMILESCCCC/C(C(=O)[O-])=C(\CCCC)C(=O)[O-].[Pb+2]
InChIInChI=1S/C12H20O4.Pb/c1-3-5-7-9(11(13)14)10(12(15)16)8-6-4-2;/h3-8H2,1-2H3,(H,13,14)(H,15,16);/q;+2/p-2/b10-9-;
InChIKeyGKTLJJLUGQKYLQ-KVVVOXFISA-L
XLogP-0.22
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dibutylbut-2-enedioate;lead(2+)?
The IUPAC name of (Z)-2,3-dibutylbut-2-enedioate;lead(2+) (CID 88732061) is (Z)-2,3-dibutylbut-2-enedioate;lead(2+).
What is the SMILES notation for (Z)-2,3-dibutylbut-2-enedioate;lead(2+)?
The canonical SMILES for (Z)-2,3-dibutylbut-2-enedioate;lead(2+) is CCCC/C(C(=O)[O-])=C(\CCCC)C(=O)[O-].[Pb+2].
What is the InChIKey of (Z)-2,3-dibutylbut-2-enedioate;lead(2+)?
The InChIKey is GKTLJJLUGQKYLQ-KVVVOXFISA-L. The full InChI is InChI=1S/C12H20O4.Pb/c1-3-5-7-9(11(13)14)10(12(15)16)8-6-4-2;/h3-8H2,1-2H3,(H,13,14)(H,15,16);/q;+2/p-2/b10-9-;.
What are the key properties of (Z)-2,3-dibutylbut-2-enedioate;lead(2+)?
(Z)-2,3-dibutylbut-2-enedioate;lead(2+) has a molecular weight of 433.47 g/mol, XLogP of -0.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dibutylbut-2-enedioate;lead(2+) is sourced from PubChem (CID 88732061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).