[(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane

C13H28B2 — CID 15733565

IUPAC[(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane
SMILESCCB(CC)/C(C)=C(/CC)B(CC)CC
InChIInChI=1S/C13H28B2/c1-7-13(15(10-4)11-5)12(6)14(8-2)9-3/h7-11H2,1-6H3/b13-12-
InChIKeyYVHVXHPHDRQSSH-SEYXRHQNSA-N
MW205.99 g/mol
LogP4.86
Rot. Bonds7

About [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane

[(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane (PubChem CID 15733565) has the molecular formula C13H28B2 and a molecular weight of 205.99 g/mol. Its IUPAC name is [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane.

Molecular Properties

Compound Name[(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane
PubChem CID15733565
Molecular FormulaC13H28B2
Molecular Weight205.99 g/mol
Exact Mass206.24
IUPAC Name[(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane
SMILESCCB(CC)/C(C)=C(/CC)B(CC)CC
InChIInChI=1S/C13H28B2/c1-7-13(15(10-4)11-5)12(6)14(8-2)9-3/h7-11H2,1-6H3/b13-12-
InChIKeyYVHVXHPHDRQSSH-SEYXRHQNSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.99
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane?
The IUPAC name of [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane (CID 15733565) is [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane.
What is the SMILES notation for [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane?
The canonical SMILES for [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane is CCB(CC)/C(C)=C(/CC)B(CC)CC.
What is the InChIKey of [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane?
The InChIKey is YVHVXHPHDRQSSH-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H28B2/c1-7-13(15(10-4)11-5)12(6)14(8-2)9-3/h7-11H2,1-6H3/b13-12-.
What are the key properties of [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane?
[(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane has a molecular weight of 205.99 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-diethylboranylpent-2-en-3-yl]-diethylborane is sourced from PubChem (CID 15733565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).