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

C18H39BPb — CID 134903662

IUPAC[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane
SMILESCCB(CC)/C(CC)=C(/C(C)(C)C)[Pb](CC)(CC)CC
InChIInChI=1S/C12H24B.3C2H5.Pb/c1-7-11(10-12(4,5)6)13(8-2)9-3;3*1-2;/h7-9H2,1-6H3;3*1H2,2H3;
InChIKeyPQJWMOHVWWPZGT-UHFFFAOYSA-N
MW473.52 g/mol
LogP6.86
Rot. Bonds8

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

[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane (PubChem CID 134903662) has the molecular formula C18H39BPb and a molecular weight of 473.52 g/mol. Its IUPAC name is [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane.

Molecular Properties

Compound Name[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane
PubChem CID134903662
Molecular FormulaC18H39BPb
Molecular Weight473.52 g/mol
Exact Mass474.29
IUPAC Name[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane
SMILESCCB(CC)/C(CC)=C(/C(C)(C)C)[Pb](CC)(CC)CC
InChIInChI=1S/C12H24B.3C2H5.Pb/c1-7-11(10-12(4,5)6)13(8-2)9-3;3*1-2;/h7-9H2,1-6H3;3*1H2,2H3;
InChIKeyPQJWMOHVWWPZGT-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 56.86
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

[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane
CID 134903613
[(E)-3-diethylboranylpent-2-en-2-yl]-triethylplumbane
CID 134903661
[(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

Frequently Asked Questions

What is the IUPAC name of [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane?
The IUPAC name of [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane (CID 134903662) is [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane.
What is the SMILES notation for [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane?
The canonical SMILES for [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane is CCB(CC)/C(CC)=C(/C(C)(C)C)[Pb](CC)(CC)CC.
What is the InChIKey of [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane?
The InChIKey is PQJWMOHVWWPZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B.3C2H5.Pb/c1-7-11(10-12(4,5)6)13(8-2)9-3;3*1-2;/h7-9H2,1-6H3;3*1H2,2H3;.
What are the key properties of [(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane?
[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-triethylplumbane has a molecular weight of 473.52 g/mol, XLogP of 6.86, 8 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]-triethylplumbane is sourced from PubChem (CID 134903662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).