2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane

C9H15B3O3 — CID 68763773

IUPAC2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane
SMILESC=CCB1OB(CC=C)OB(CC=C)O1
InChIInChI=1S/C9H15B3O3/c1-4-7-10-13-11(8-5-2)15-12(14-10)9-6-3/h4-6H,1-3,7-9H2
InChIKeyNGUIHWNBMOOIMD-UHFFFAOYSA-N
MW203.65 g/mol
LogP2.07
Rot. Bonds6

About 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane

2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane (PubChem CID 68763773) has the molecular formula C9H15B3O3 and a molecular weight of 203.65 g/mol. Its IUPAC name is 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

Compound Name2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane
PubChem CID68763773
Molecular FormulaC9H15B3O3
Molecular Weight203.65 g/mol
Exact Mass204.13
IUPAC Name2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane
SMILESC=CCB1OB(CC=C)OB(CC=C)O1
InChIInChI=1S/C9H15B3O3/c1-4-7-10-13-11(8-5-2)15-12(14-10)9-6-3/h4-6H,1-3,7-9H2
InChIKeyNGUIHWNBMOOIMD-UHFFFAOYSA-N
XLogP2.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enyl-1,3,2-dioxaborolane
CID 12566599
CID 67377310
CID 67377310
2-prop-2-enyl-1,3,2-dioxaborolane-4,5-dicarboxylic acid
CID 18924030
(4S,5S)-2-prop-2-enyl-1,3,2-dioxaborolane-4,5-dicarboxylic acid
CID 100956704
bis(2,4-dimethylpentan-3-yl) (4R,5R)-2-prop-2-enyl-1,3,2-dioxaborolane-4,5-dicarboxylate
CID 11223197
CID 88808793
CID 88808793
3,3,4,4-tetramethyl-1-prop-2-enylborolane
CID 162772538
4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane
CID 66667932
tetrakis(prop-2-enyl)phosphanium iodide
CID 87197192
benzaldehyde;1-phenylbut-3-en-1-ol;4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane
CID 160630591
CID 122447936
CID 122447936
iron;pentakis(tris(prop-2-enoxy)phosphanium)
CID 88840640

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane?
The IUPAC name of 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane (CID 68763773) is 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane.
What is the SMILES notation for 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane?
The canonical SMILES for 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane is C=CCB1OB(CC=C)OB(CC=C)O1.
What is the InChIKey of 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane?
The InChIKey is NGUIHWNBMOOIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15B3O3/c1-4-7-10-13-11(8-5-2)15-12(14-10)9-6-3/h4-6H,1-3,7-9H2.
What are the key properties of 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane?
2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 203.65 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 68763773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).