[(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane

C22H48B2Pb2 — CID 134903635

IUPAC[(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane
SMILESCCB(CC)/C(CC)=C(C(=C(\CC)B(CC)CC)/[Pb](C)(C)C)\[Pb](C)(C)C
InChIInChI=1S/C16H30B2.6CH3.2Pb/c1-7-15(17(9-3)10-4)13-14-16(8-2)18(11-5)12-6;;;;;;;;/h7-12H2,1-6H3;6*1H3;;
InChIKeyIWYORIBFEPVPTJ-UHFFFAOYSA-N
MW748.65 g/mol
LogP8.30
Rot. Bonds11

About [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane

[(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane (PubChem CID 134903635) has the molecular formula C22H48B2Pb2 and a molecular weight of 748.65 g/mol. Its IUPAC name is [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane.

Molecular Properties

Compound Name[(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane
PubChem CID134903635
Molecular FormulaC22H48B2Pb2
Molecular Weight748.65 g/mol
Exact Mass750.35
IUPAC Name[(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane
SMILESCCB(CC)/C(CC)=C(C(=C(\CC)B(CC)CC)/[Pb](C)(C)C)\[Pb](C)(C)C
InChIInChI=1S/C16H30B2.6CH3.2Pb/c1-7-15(17(9-3)10-4)13-14-16(8-2)18(11-5)12-6;;;;;;;;/h7-12H2,1-6H3;6*1H3;;
InChIKeyIWYORIBFEPVPTJ-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.65
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane
CID 134978845
bis[(E)-3-diethylboranylpent-2-en-2-yl]-dimethylstannane
CID 21598062
bis[(E)-4-diethylboranylhex-3-en-3-yl]-dimethylstannane
CID 21598063

Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane?
The IUPAC name of [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane (CID 134903635) is [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane.
What is the SMILES notation for [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane?
The canonical SMILES for [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane is CCB(CC)/C(CC)=C(C(=C(\CC)B(CC)CC)/[Pb](C)(C)C)\[Pb](C)(C)C.
What is the InChIKey of [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane?
The InChIKey is IWYORIBFEPVPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30B2.6CH3.2Pb/c1-7-15(17(9-3)10-4)13-14-16(8-2)18(11-5)12-6;;;;;;;;/h7-12H2,1-6H3;6*1H3;;.
What are the key properties of [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane?
[(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane has a molecular weight of 748.65 g/mol, XLogP of 8.30, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane is sourced from PubChem (CID 134903635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).