2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole

C12H10B2O4 — CID 51064170

IUPAC2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
SMILESC1=CC2=C(CC1)OB(B1Oc3ccccc3O1)O2
InChIInChI=1S/C12H10B2O4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-3,5-7H,4,8H2
InChIKeyUMPOIAWIDCLOHR-UHFFFAOYSA-N
MW239.83 g/mol
LogP2.12
Rot. Bonds1

About 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole

2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole (PubChem CID 51064170) has the molecular formula C12H10B2O4 and a molecular weight of 239.83 g/mol. Its IUPAC name is 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole.

Molecular Properties

Compound Name2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
PubChem CID51064170
Molecular FormulaC12H10B2O4
Molecular Weight239.83 g/mol
Exact Mass240.08
IUPAC Name2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
SMILESC1=CC2=C(CC1)OB(B1Oc3ccccc3O1)O2
InChIInChI=1S/C12H10B2O4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-3,5-7H,4,8H2
InChIKeyUMPOIAWIDCLOHR-UHFFFAOYSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.83
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-(3-methylphenyl)-3,4-dihydrophenoxazine
CID 145413862
7,8-dihydro-4H-1,4-benzoxazine
CID 173072200
6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine
CID 67004309
3,4,8,14-tetrahydrochromeno[2,3-a]xanthene
CID 70993533
1,2-dihydronaphthalene
CID 161389674
1,2-dihydronaphthalene
CID 9938
2-[(E)-prop-1-enyl]-1,3,2-benzodioxaborole
CID 20725514
6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 142425353
5a-methyl-6-phenyl-2,8,9,9a-tetrahydro-1H-dibenzofuran
CID 71235187
2-[(1R,2S)-2-(1,3,2-benzodioxaborol-2-yl)cyclohexyl]-1,3,2-benzodioxaborole
CID 139249437
5-methyl-2-(5-methyl-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
CID 15829533
3-fluoro-2,4-dioxa-3-boratricyclo[7.3.1.05,13]trideca-1(13),5,7,9-tetraene
CID 155713115

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole?
The IUPAC name of 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole (CID 51064170) is 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole.
What is the SMILES notation for 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole?
The canonical SMILES for 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole is C1=CC2=C(CC1)OB(B1Oc3ccccc3O1)O2.
What is the InChIKey of 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole?
The InChIKey is UMPOIAWIDCLOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10B2O4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-3,5-7H,4,8H2.
What are the key properties of 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole?
2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole has a molecular weight of 239.83 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole is sourced from PubChem (CID 51064170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).