(2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane

C11H21O2Pb+ — CID 159294845

IUPAC(2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane
SMILES[H]/[O+]=C(/C=C(O[PbH])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H20O2.Pb.H/c1-10(2,3)8(12)7-9(13)11(4,5)6;;/h7,12H,1-6H3;;/q;+1;
InChIKeyUDRDBWLRVNAUFM-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.34
Rot. Bonds2

About (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane

(2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane (PubChem CID 159294845) has the molecular formula C11H21O2Pb+ and a molecular weight of 392.49 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane
PubChem CID159294845
Molecular FormulaC11H21O2Pb+
Molecular Weight392.49 g/mol
Exact Mass393.13
IUPAC Name(2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane
SMILES[H]/[O+]=C(/C=C(O[PbH])C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H20O2.Pb.H/c1-10(2,3)8(12)7-9(13)11(4,5)6;;/h7,12H,1-6H3;;/q;+1;
InChIKeyUDRDBWLRVNAUFM-UHFFFAOYSA-N
XLogP2.34
TPSA30.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;2-methylpropan-2-ol;tantalum
CID 58943021
ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)
CID 22834336
[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;propan-2-ol;tantalum
CID 58943005
bis([(E)-1-hydroxy-1-methoxy-4,4-dimethylpent-1-en-3-ylidene]oxidanium);bis(propan-2-ol);titanium
CID 59155345
[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;propan-2-ol;titanium
CID 20576059
[5-hydroxy-7-(2-methoxyethoxy)-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;bis(2-methylpropan-2-ol);titanium
CID 146845540
[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;2-methylpentane-2,4-diol;zirconium
CID 20576045
[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;2-methylpentane-2,4-diol;titanium
CID 20576042
tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium);yttrium
CID 50911554
scandium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 3569331
samarium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 50909582
copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 5033021

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane?
The IUPAC name of (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane (CID 159294845) is (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane.
What is the SMILES notation for (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane?
The canonical SMILES for (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane is [H]/[O+]=C(/C=C(O[PbH])C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane?
The InChIKey is UDRDBWLRVNAUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.Pb.H/c1-10(2,3)8(12)7-9(13)11(4,5)6;;/h7,12H,1-6H3;;/q;+1;.
What are the key properties of (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane?
(2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane has a molecular weight of 392.49 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-5-oxoniumylidenehept-3-en-3-yl)oxy-λ2-plumbane is sourced from PubChem (CID 159294845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).