[(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane

C16H34B2 — CID 134978845

IUPAC[(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane
SMILESCCCB(CCC)/C(CCC)=C(/C)B(CC)CC
InChIInChI=1S/C16H34B2/c1-7-12-16(15(6)17(10-4)11-5)18(13-8-2)14-9-3/h7-14H2,1-6H3/b16-15-
InChIKeyQBUWJQVWMLYHFB-NXVVXOECSA-N
MW248.07 g/mol
LogP6.03
Rot. Bonds10

About [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane

[(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane (PubChem CID 134978845) has the molecular formula C16H34B2 and a molecular weight of 248.07 g/mol. Its IUPAC name is [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane.

Molecular Properties

Compound Name[(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane
PubChem CID134978845
Molecular FormulaC16H34B2
Molecular Weight248.07 g/mol
Exact Mass248.28
IUPAC Name[(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane
SMILESCCCB(CCC)/C(CCC)=C(/C)B(CC)CC
InChIInChI=1S/C16H34B2/c1-7-12-16(15(6)17(10-4)11-5)18(13-8-2)14-9-3/h7-14H2,1-6H3/b16-15-
InChIKeyQBUWJQVWMLYHFB-NXVVXOECSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.07
LogP ≤ 56.03
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

Borane, ((1Z)-1-ethyl-2-methyl-1,2-ethenediyl)bis(diethyl-
CID 15733565
tris[(Z)-oct-4-en-4-yl]borane
CID 11121487
[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylborane
CID 15733569
[(3E,5E)-3,6-bis(diethylboranyl)-5-trimethylplumbylocta-3,5-dien-4-yl]-trimethylplumbane
CID 134903635
tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane
CID 134904028
tris[(Z)-hept-3-en-4-yl]borane
CID 135048838
tris[(Z)-hept-3-en-3-yl]borane
CID 135048865
Borane, (1,2-diethyl-1,2-ethenediyl)bis[diethyl-
CID 5365814
tris[(E)-oct-4-en-4-yl]borane
CID 11824128
bis[(E)-3-diethylboranylpent-2-en-2-yl]-dimethylstannane
CID 21598062
bis[(E)-4-diethylboranylhex-3-en-3-yl]-dimethylstannane
CID 21598063
bis[(E)-3-diethylboranylhept-3-en-4-yl]-dimethylstannane
CID 21598064

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane?
The IUPAC name of [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane (CID 134978845) is [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane.
What is the SMILES notation for [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane?
The canonical SMILES for [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane is CCCB(CCC)/C(CCC)=C(/C)B(CC)CC.
What is the InChIKey of [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane?
The InChIKey is QBUWJQVWMLYHFB-NXVVXOECSA-N. The full InChI is InChI=1S/C16H34B2/c1-7-12-16(15(6)17(10-4)11-5)18(13-8-2)14-9-3/h7-14H2,1-6H3/b16-15-.
What are the key properties of [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane?
[(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane has a molecular weight of 248.07 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane is sourced from PubChem (CID 134978845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).