2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+)

C16H26O4Pb — CID 173460771

IUPAC2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+)
SMILESCCCCCC(CC)(CC)C(C(=O)[O-])=C(CC)C(=O)[O-].[Pb+2]
InChIInChI=1S/C16H28O4.Pb/c1-5-9-10-11-16(7-3,8-4)13(15(19)20)12(6-2)14(17)18;/h5-11H2,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2
InChIKeyVJLOQKIIOVVDSR-UHFFFAOYSA-L
MW489.58 g/mol
LogP1.20
Rot. Bonds10

About 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+)

2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+) (PubChem CID 173460771) has the molecular formula C16H26O4Pb and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+).

Molecular Properties

Compound Name2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+)
PubChem CID173460771
Molecular FormulaC16H26O4Pb
Molecular Weight489.58 g/mol
Exact Mass490.16
IUPAC Name2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+)
SMILESCCCCCC(CC)(CC)C(C(=O)[O-])=C(CC)C(=O)[O-].[Pb+2]
InChIInChI=1S/C16H28O4.Pb/c1-5-9-10-11-16(7-3,8-4)13(15(19)20)12(6-2)14(17)18;/h5-11H2,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2
InChIKeyVJLOQKIIOVVDSR-UHFFFAOYSA-L
XLogP1.20
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 139750929
chlorotin(3+);tris(2,2-dibutyloctadecanoate)
CID 173446918
2-butyl-2-ethylnonanoic acid
CID 57042574
dipotassium;2,2-dipentylpropanedioate
CID 139411547
2,2-diethyl-N-hydroxypentadecanamide
CID 138558527
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CID 158971138

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+)?
The IUPAC name of 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+) (CID 173460771) is 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+).
What is the SMILES notation for 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+)?
The canonical SMILES for 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+) is CCCCCC(CC)(CC)C(C(=O)[O-])=C(CC)C(=O)[O-].[Pb+2].
What is the InChIKey of 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+)?
The InChIKey is VJLOQKIIOVVDSR-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H28O4.Pb/c1-5-9-10-11-16(7-3,8-4)13(15(19)20)12(6-2)14(17)18;/h5-11H2,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2.
What are the key properties of 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+)?
2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+) has a molecular weight of 489.58 g/mol, XLogP of 1.20, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-ethyloctan-3-yl)but-2-enedioate;lead(2+) is sourced from PubChem (CID 173460771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).