tris[(Z)-hex-3-en-3-yl]borane

C18H33B — CID 11139842

IUPACtris[(Z)-hex-3-en-3-yl]borane
SMILESCC/C=C(\CC)B(/C(=C/CC)CC)/C(=C/CC)CC
InChIInChI=1S/C18H33B/c1-7-13-16(10-4)19(17(11-5)14-8-2)18(12-6)15-9-3/h13-15H,7-12H2,1-6H3/b16-13+,17-14+,18-15+
InChIKeyAZNABBZWDYGHTF-NLCRRHETSA-N
MW260.27 g/mol
LogP6.34
Rot. Bonds9

About tris[(Z)-hex-3-en-3-yl]borane

tris[(Z)-hex-3-en-3-yl]borane (PubChem CID 11139842) has the molecular formula C18H33B and a molecular weight of 260.27 g/mol. Its IUPAC name is tris[(Z)-hex-3-en-3-yl]borane.

Molecular Properties

Compound Nametris[(Z)-hex-3-en-3-yl]borane
PubChem CID11139842
Molecular FormulaC18H33B
Molecular Weight260.27 g/mol
Exact Mass260.27
IUPAC Nametris[(Z)-hex-3-en-3-yl]borane
SMILESCC/C=C(\CC)B(/C(=C/CC)CC)/C(=C/CC)CC
InChIInChI=1S/C18H33B/c1-7-13-16(10-4)19(17(11-5)14-8-2)18(12-6)15-9-3/h13-15H,7-12H2,1-6H3/b16-13+,17-14+,18-15+
InChIKeyAZNABBZWDYGHTF-NLCRRHETSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.27
LogP ≤ 56.34
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 tris[(Z)-hex-3-en-3-yl]borane?
The IUPAC name of tris[(Z)-hex-3-en-3-yl]borane (CID 11139842) is tris[(Z)-hex-3-en-3-yl]borane.
What is the SMILES notation for tris[(Z)-hex-3-en-3-yl]borane?
The canonical SMILES for tris[(Z)-hex-3-en-3-yl]borane is CC/C=C(\CC)B(/C(=C/CC)CC)/C(=C/CC)CC.
What is the InChIKey of tris[(Z)-hex-3-en-3-yl]borane?
The InChIKey is AZNABBZWDYGHTF-NLCRRHETSA-N. The full InChI is InChI=1S/C18H33B/c1-7-13-16(10-4)19(17(11-5)14-8-2)18(12-6)15-9-3/h13-15H,7-12H2,1-6H3/b16-13+,17-14+,18-15+.
What are the key properties of tris[(Z)-hex-3-en-3-yl]borane?
tris[(Z)-hex-3-en-3-yl]borane has a molecular weight of 260.27 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(Z)-hex-3-en-3-yl]borane is sourced from PubChem (CID 11139842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).