Di(1-isopropyl-3-methylbut-2-enyl)borane

C16H30B — CID 11310858

IUPAC—
SMILESCC(C)=CC([B]C(C=C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H30B/c1-11(2)9-15(13(5)6)17-16(14(7)8)10-12(3)4/h9-10,13-16H,1-8H3
InChIKeyOEEDOOSBMOBYQY-UHFFFAOYSA-N
MW233.23 g/mol
LogP5.51
Rot. Bonds6

About Di(1-isopropyl-3-methylbut-2-enyl)borane

Di(1-isopropyl-3-methylbut-2-enyl)borane (PubChem CID 11310858) has the molecular formula C16H30B and a molecular weight of 233.23 g/mol.

Molecular Properties

Compound NameDi(1-isopropyl-3-methylbut-2-enyl)borane
PubChem CID11310858
Molecular FormulaC16H30B
Molecular Weight233.23 g/mol
Exact Mass233.24
IUPAC Name—
SMILESCC(C)=CC([B]C(C=C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H30B/c1-11(2)9-15(13(5)6)17-16(14(7)8)10-12(3)4/h9-10,13-16H,1-8H3
InChIKeyOEEDOOSBMOBYQY-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.23
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze Di(1-isopropyl-3-methylbut-2-enyl)borane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Di(1-isopropyl-3-methylbut-2-enyl)borane?
The IUPAC name of Di(1-isopropyl-3-methylbut-2-enyl)borane (CID 11310858) is not available.
What is the SMILES notation for Di(1-isopropyl-3-methylbut-2-enyl)borane?
The canonical SMILES for Di(1-isopropyl-3-methylbut-2-enyl)borane is CC(C)=CC([B]C(C=C(C)C)C(C)C)C(C)C.
What is the InChIKey of Di(1-isopropyl-3-methylbut-2-enyl)borane?
The InChIKey is OEEDOOSBMOBYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30B/c1-11(2)9-15(13(5)6)17-16(14(7)8)10-12(3)4/h9-10,13-16H,1-8H3.
What are the key properties of Di(1-isopropyl-3-methylbut-2-enyl)borane?
Di(1-isopropyl-3-methylbut-2-enyl)borane has a molecular weight of 233.23 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Di(1-isopropyl-3-methylbut-2-enyl)borane is sourced from PubChem (CID 11310858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).