[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane

C18H39BPb — CID 134903943

IUPAC[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane
SMILESCC(C)B(/C(=C(/C(C)(C)C)[Pb](C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30B.3CH3.Pb/c1-11(2)14(10-15(7,8)9)16(12(3)4)13(5)6;;;;/h11-13H,1-9H3;3*1H3;
InChIKeyFJVHTFRYCKRNBT-UHFFFAOYSA-N
MW473.52 g/mol
LogP6.72
Rot. Bonds5

About [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane

[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane (PubChem CID 134903943) has the molecular formula C18H39BPb and a molecular weight of 473.52 g/mol. Its IUPAC name is [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane.

Molecular Properties

Compound Name[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane
PubChem CID134903943
Molecular FormulaC18H39BPb
Molecular Weight473.52 g/mol
Exact Mass474.29
IUPAC Name[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane
SMILESCC(C)B(/C(=C(/C(C)(C)C)[Pb](C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30B.3CH3.Pb/c1-11(2)14(10-15(7,8)9)16(12(3)4)13(5)6;;;;/h11-13H,1-9H3;3*1H3;
InChIKeyFJVHTFRYCKRNBT-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 56.72
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

2,4-Dimethylpent-2-en-3-yl-bis(3-methylbutan-2-yl)borane
CID 12498152
[(E)-4-diethylboranyl-2,2-dimethylhex-3-en-3-yl]-trimethylplumbane
CID 134903613
bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane
CID 134903656
[(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)-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
[(Z)-4,4-dimethylpent-2-en-3-yl]-bis(3-methylbutan-2-yl)borane
CID 134978622
2,6-Diethyl-1,1-dimethyl-3,4,5-tri(propan-2-yl)-1,4-stannaborinine
CID 21598092
1,1,2,6-Tetramethyl-3,4,5-tri(propan-2-yl)-1,4-stannaborinine
CID 12415440
1,1-Dimethyl-2,3,4,5,6-penta(propan-2-yl)-1,4-stannaborinine
CID 21598094

Frequently Asked Questions

What is the IUPAC name of [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane?
The IUPAC name of [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane (CID 134903943) is [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane.
What is the SMILES notation for [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane?
The canonical SMILES for [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane is CC(C)B(/C(=C(/C(C)(C)C)[Pb](C)(C)C)C(C)C)C(C)C.
What is the InChIKey of [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane?
The InChIKey is FJVHTFRYCKRNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30B.3CH3.Pb/c1-11(2)14(10-15(7,8)9)16(12(3)4)13(5)6;;;;/h11-13H,1-9H3;3*1H3;.
What are the key properties of [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane?
[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane has a molecular weight of 473.52 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-trimethylplumbane is sourced from PubChem (CID 134903943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).