cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide

C15H30B2N- — CID 134889811

IUPACcyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide
SMILESCCB(CC)/C(CC)=C(/CC)[B-](C#N)(CC)CC
InChIInChI=1S/C15H30B2N/c1-7-14(16(9-3)10-4)15(8-2)17(11-5,12-6)13-18/h7-12H2,1-6H3/q-1/b15-14-
InChIKeyIXXBZOPNYOQFOP-PFONDFGASA-N
MW246.04 g/mol
LogP5.27
Rot. Bonds8

About cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide

cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide (PubChem CID 134889811) has the molecular formula C15H30B2N- and a molecular weight of 246.04 g/mol. Its IUPAC name is cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide.

Molecular Properties

Compound Namecyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide
PubChem CID134889811
Molecular FormulaC15H30B2N-
Molecular Weight246.04 g/mol
Exact Mass246.26
IUPAC Namecyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide
SMILESCCB(CC)/C(CC)=C(/CC)[B-](C#N)(CC)CC
InChIInChI=1S/C15H30B2N/c1-7-14(16(9-3)10-4)15(8-2)17(11-5,12-6)13-18/h7-12H2,1-6H3/q-1/b15-14-
InChIKeyIXXBZOPNYOQFOP-PFONDFGASA-N
XLogP5.27
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.04
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Borane, ((1Z)-1-ethyl-2-methyl-1,2-ethenediyl)bis(diethyl-
CID 15733565
[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylborane
CID 15733569
Borane, (1,2-diethyl-1,2-ethenediyl)bis[diethyl-
CID 5365814
CID 58289256
CID 58289256
CID 76742319
CID 76742319

Frequently Asked Questions

What is the IUPAC name of cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide?
The IUPAC name of cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide (CID 134889811) is cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide.
What is the SMILES notation for cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide?
The canonical SMILES for cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide is CCB(CC)/C(CC)=C(/CC)[B-](C#N)(CC)CC.
What is the InChIKey of cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide?
The InChIKey is IXXBZOPNYOQFOP-PFONDFGASA-N. The full InChI is InChI=1S/C15H30B2N/c1-7-14(16(9-3)10-4)15(8-2)17(11-5,12-6)13-18/h7-12H2,1-6H3/q-1/b15-14-.
What are the key properties of cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide?
cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide has a molecular weight of 246.04 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyano-[(Z)-4-diethylboranylhex-3-en-3-yl]-diethylboranuide is sourced from PubChem (CID 134889811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).