λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)

C22H42O4Pb — CID 173200803

IUPACλ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)
SMILESCCCC(C)C(=O)C(=O)C(C)(C)C.CCCC(C)C(=O)C(=O)C(C)(C)C.[PbH2]
InChIInChI=1S/2C11H20O2.Pb.2H/c2*1-6-7-8(2)9(12)10(13)11(3,4)5;;;/h2*8H,6-7H2,1-5H3;;;
InChIKeyQWBNDWNEKRWHPA-UHFFFAOYSA-N
MW577.77 g/mol
LogP4.30
Rot. Bonds8

About λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)

λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione) (PubChem CID 173200803) has the molecular formula C22H42O4Pb and a molecular weight of 577.77 g/mol. Its IUPAC name is λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione).

Molecular Properties

Compound Nameλ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)
PubChem CID173200803
Molecular FormulaC22H42O4Pb
Molecular Weight577.77 g/mol
Exact Mass578.28
IUPAC Nameλ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)
SMILESCCCC(C)C(=O)C(=O)C(C)(C)C.CCCC(C)C(=O)C(=O)C(C)(C)C.[PbH2]
InChIInChI=1S/2C11H20O2.Pb.2H/c2*1-6-7-8(2)9(12)10(13)11(3,4)5;;;/h2*8H,6-7H2,1-5H3;;;
InChIKeyQWBNDWNEKRWHPA-UHFFFAOYSA-N
XLogP4.30
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.77
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,2,5-trimethyloctane-3,4-dione
CID 11191887
neodymium;tris(2,2,5-trimethyloctane-3,4-dione)
CID 175833712
(3S)-3-methyl-2-oxohexanamide
CID 145466724
(6S)-4,6-dimethylnonan-5-one
CID 177467625
(4R)-4-methylheptan-3-one
CID 12696684
(2R)-2-methylpentanoyl chloride
CID 7160703
CID 159174397
CID 159174397
(4R)-2,4-dimethylheptan-3-one
CID 6999069
3-amino-3,5-dimethyloctan-4-one
CID 107890205
2-methyl-N-propan-2-ylpentanamide
CID 4628268
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
3-methyl-2-oxohexanimidamide
CID 141053375

Frequently Asked Questions

What is the IUPAC name of λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)?
The IUPAC name of λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione) (CID 173200803) is λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione).
What is the SMILES notation for λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)?
The canonical SMILES for λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione) is CCCC(C)C(=O)C(=O)C(C)(C)C.CCCC(C)C(=O)C(=O)C(C)(C)C.[PbH2].
What is the InChIKey of λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)?
The InChIKey is QWBNDWNEKRWHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20O2.Pb.2H/c2*1-6-7-8(2)9(12)10(13)11(3,4)5;;;/h2*8H,6-7H2,1-5H3;;;.
What are the key properties of λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)?
λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione) has a molecular weight of 577.77 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione) is sourced from PubChem (CID 173200803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).