[(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane

C14H30B2 — CID 5365814

IUPAC[(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane
SMILESCCB(CC)/C(CC)=C(\CC)B(CC)CC
InChIInChI=1S/C14H30B2/c1-7-13(15(9-3)10-4)14(8-2)16(11-5)12-6/h7-12H2,1-6H3/b14-13+
InChIKeyUJEPJBFWSQMZCC-BUHFOSPRSA-N
MW220.02 g/mol
LogP5.25
Rot. Bonds8

About [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane

[(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane (PubChem CID 5365814) has the molecular formula C14H30B2 and a molecular weight of 220.02 g/mol. Its IUPAC name is [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane.

Molecular Properties

Compound Name[(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane
PubChem CID5365814
Molecular FormulaC14H30B2
Molecular Weight220.02 g/mol
Exact Mass220.25
IUPAC Name[(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane
SMILESCCB(CC)/C(CC)=C(\CC)B(CC)CC
InChIInChI=1S/C14H30B2/c1-7-13(15(9-3)10-4)14(8-2)16(11-5)12-6/h7-12H2,1-6H3/b14-13+
InChIKeyUJEPJBFWSQMZCC-BUHFOSPRSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.02
LogP ≤ 55.25
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, diethyl[1-ethyl-2-(trimethylstannyl)-1-propenyl]-
CID 5362824
[(E)-3-diethylboranylpent-2-en-2-yl]-trimethylstannane
CID 12060888
[(E)-3-diethylboranylpent-2-en-2-yl]-trimethylgermane
CID 14436720
Borane, ((1Z)-1-ethyl-2-methyl-1,2-ethenediyl)bis(diethyl-
CID 15733565
1H-1,3-Diborole, 1,3,4,5-tetraethyl-2,3-dihydro-2-methyl-
CID 534721
[(E)-3-diethylboranylpent-2-en-2-yl]-trimethylplumbane
CID 14387253
[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylborane
CID 15733569
cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide
CID 134889811
[(E)-3-diethylboranylpent-2-en-2-yl]-triethylplumbane
CID 134903661
[(Z)-2-diethylboranylhex-2-en-3-yl]-dipropylborane
CID 134978845
[(E)-4-fluorohex-3-en-3-yl]-trimethylboranuide
CID 177852632
3-Diethylboranylpent-2-en-2-yl(trimethyl)stannane
CID 534929

Frequently Asked Questions

What is the IUPAC name of [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane?
The IUPAC name of [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane (CID 5365814) is [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane.
What is the SMILES notation for [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane?
The canonical SMILES for [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane is CCB(CC)/C(CC)=C(\CC)B(CC)CC.
What is the InChIKey of [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane?
The InChIKey is UJEPJBFWSQMZCC-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H30B2/c1-7-13(15(9-3)10-4)14(8-2)16(11-5)12-6/h7-12H2,1-6H3/b14-13+.
What are the key properties of [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane?
[(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane has a molecular weight of 220.02 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-diethylboranylhex-3-en-3-yl]-diethylborane is sourced from PubChem (CID 5365814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).