butyl-tris(prop-2-enyl)boranuide

C13H24B- — CID 14320351

IUPACbutyl-tris(prop-2-enyl)boranuide
SMILESC=CC[B-](CC=C)(CC=C)CCCC
InChIInChI=1S/C13H24B/c1-5-9-13-14(10-6-2,11-7-3)12-8-4/h6-8H,2-5,9-13H2,1H3/q-1
InChIKeyVHJYDGDSZFPROT-UHFFFAOYSA-N
MW191.15 g/mol
LogP4.79
Rot. Bonds9

About butyl-tris(prop-2-enyl)boranuide

butyl-tris(prop-2-enyl)boranuide (PubChem CID 14320351) has the molecular formula C13H24B- and a molecular weight of 191.15 g/mol. Its IUPAC name is butyl-tris(prop-2-enyl)boranuide.

Molecular Properties

Compound Namebutyl-tris(prop-2-enyl)boranuide
PubChem CID14320351
Molecular FormulaC13H24B-
Molecular Weight191.15 g/mol
Exact Mass191.20
IUPAC Namebutyl-tris(prop-2-enyl)boranuide
SMILESC=CC[B-](CC=C)(CC=C)CCCC
InChIInChI=1S/C13H24B/c1-5-9-13-14(10-6-2,11-7-3)12-8-4/h6-8H,2-5,9-13H2,1H3/q-1
InChIKeyVHJYDGDSZFPROT-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 54.79
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'}

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Frequently Asked Questions

What is the IUPAC name of butyl-tris(prop-2-enyl)boranuide?
The IUPAC name of butyl-tris(prop-2-enyl)boranuide (CID 14320351) is butyl-tris(prop-2-enyl)boranuide.
What is the SMILES notation for butyl-tris(prop-2-enyl)boranuide?
The canonical SMILES for butyl-tris(prop-2-enyl)boranuide is C=CC[B-](CC=C)(CC=C)CCCC.
What is the InChIKey of butyl-tris(prop-2-enyl)boranuide?
The InChIKey is VHJYDGDSZFPROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24B/c1-5-9-13-14(10-6-2,11-7-3)12-8-4/h6-8H,2-5,9-13H2,1H3/q-1.
What are the key properties of butyl-tris(prop-2-enyl)boranuide?
butyl-tris(prop-2-enyl)boranuide has a molecular weight of 191.15 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-tris(prop-2-enyl)boranuide is sourced from PubChem (CID 14320351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).