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

C21H45BPb — CID 134904017

IUPAC[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane
SMILESCC[Pb](CC)(CC)/C(=C(\B(C(C)C)C(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C15H30B.3C2H5.Pb/c1-11(2)14(10-15(7,8)9)16(12(3)4)13(5)6;3*1-2;/h11-13H,1-9H3;3*1H2,2H3;
InChIKeyXBAHAXGHJASKMT-UHFFFAOYSA-N
MW515.60 g/mol
LogP7.89
Rot. Bonds8

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

[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane (PubChem CID 134904017) has the molecular formula C21H45BPb and a molecular weight of 515.60 g/mol. Its IUPAC name is [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane.

Molecular Properties

Compound Name[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane
PubChem CID134904017
Molecular FormulaC21H45BPb
Molecular Weight515.60 g/mol
Exact Mass516.34
IUPAC Name[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane
SMILESCC[Pb](CC)(CC)/C(=C(\B(C(C)C)C(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C15H30B.3C2H5.Pb/c1-11(2)14(10-15(7,8)9)16(12(3)4)13(5)6;3*1-2;/h11-13H,1-9H3;3*1H2,2H3;
InChIKeyXBAHAXGHJASKMT-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.60
LogP ≤ 57.89
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)-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
[(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]-triethylplumbane?
The IUPAC name of [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane (CID 134904017) is [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane.
What is the SMILES notation for [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane?
The canonical SMILES for [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane is CC[Pb](CC)(CC)/C(=C(\B(C(C)C)C(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]-triethylplumbane?
The InChIKey is XBAHAXGHJASKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30B.3C2H5.Pb/c1-11(2)14(10-15(7,8)9)16(12(3)4)13(5)6;3*1-2;/h11-13H,1-9H3;3*1H2,2H3;.
What are the key properties of [(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane?
[(E)-4-di(propan-2-yl)boranyl-2,2,5-trimethylhex-3-en-3-yl]-triethylplumbane has a molecular weight of 515.60 g/mol, XLogP of 7.89, 8 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]-triethylplumbane is sourced from PubChem (CID 134904017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).