[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane

C15H33BPb — CID 134903613

IUPAC[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane
SMILESCCB(CC)/C(CC)=C(/C(C)(C)C)[Pb](C)(C)C
InChIInChI=1S/C12H24B.3CH3.Pb/c1-7-11(10-12(4,5)6)13(8-2)9-3;;;;/h7-9H2,1-6H3;3*1H3;
InChIKeyNZOKJGOTGVJMCP-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.69
Rot. Bonds5

About [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane

[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane (PubChem CID 134903613) has the molecular formula C15H33BPb and a molecular weight of 431.44 g/mol. Its IUPAC name is [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane.

Molecular Properties

Compound Name[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane
PubChem CID134903613
Molecular FormulaC15H33BPb
Molecular Weight431.44 g/mol
Exact Mass432.24
IUPAC Name[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane
SMILESCCB(CC)/C(CC)=C(/C(C)(C)C)[Pb](C)(C)C
InChIInChI=1S/C12H24B.3CH3.Pb/c1-7-11(10-12(4,5)6)13(8-2)9-3;;;;/h7-9H2,1-6H3;3*1H3;
InChIKeyNZOKJGOTGVJMCP-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-Di-tert-butyl-1-methyl-1H-borirene
CID 15567374
[(E)-3-diethylboranylpent-2-en-2-yl]-trimethylplumbane
CID 14387253
[(E)-3-diethylboranylpent-2-en-2-yl]-triethylplumbane
CID 134903661
[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane
CID 134903662
[(E)-3-di(propan-2-yl)boranyl-4-methylpent-2-en-2-yl]-trimethylplumbane
CID 134903904
[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane
CID 134903943
[(E)-3-di(propan-2-yl)boranyl-4-methylpent-2-en-2-yl]-triethylplumbane
CID 134904016
[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane
CID 134904017
CID 174037724
CID 174037724
CID 174037725
CID 174037725
CID 174037994
CID 174037994
tert-butyl-[(E)-3-diethylboranylpent-2-en-2-yl]-dimethylstannane
CID 21598393

Frequently Asked Questions

What is the IUPAC name of [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane?
The IUPAC name of [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane (CID 134903613) is [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane.
What is the SMILES notation for [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane?
The canonical SMILES for [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane is CCB(CC)/C(CC)=C(/C(C)(C)C)[Pb](C)(C)C.
What is the InChIKey of [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane?
The InChIKey is NZOKJGOTGVJMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B.3CH3.Pb/c1-7-11(10-12(4,5)6)13(8-2)9-3;;;;/h7-9H2,1-6H3;3*1H3;.
What are the key properties of [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane?
[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane has a molecular weight of 431.44 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane is sourced from PubChem (CID 134903613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).