(2,6-dimethylphenyl)-dimethoxyborane

C10H15BO2 — CID 59583139

IUPAC(2,6-dimethylphenyl)-dimethoxyborane
SMILESCOB(OC)c1c(C)cccc1C
InChIInChI=1S/C10H15BO2/c1-8-6-5-7-9(2)10(8)11(12-3)13-4/h5-7H,1-4H3
InChIKeyMNGIYPOOGRHPIK-UHFFFAOYSA-N
MW178.04 g/mol
LogP1.29
Rot. Bonds3

About (2,6-dimethylphenyl)-dimethoxyborane

(2,6-dimethylphenyl)-dimethoxyborane (PubChem CID 59583139) has the molecular formula C10H15BO2 and a molecular weight of 178.04 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-dimethoxyborane.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-dimethoxyborane
PubChem CID59583139
Molecular FormulaC10H15BO2
Molecular Weight178.04 g/mol
Exact Mass178.12
IUPAC Name(2,6-dimethylphenyl)-dimethoxyborane
SMILESCOB(OC)c1c(C)cccc1C
InChIInChI=1S/C10H15BO2/c1-8-6-5-7-9(2)10(8)11(12-3)13-4/h5-7H,1-4H3
InChIKeyMNGIYPOOGRHPIK-UHFFFAOYSA-N
XLogP1.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.04
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2,6-dimethylphenyl)-dimethoxyborane?
The IUPAC name of (2,6-dimethylphenyl)-dimethoxyborane (CID 59583139) is (2,6-dimethylphenyl)-dimethoxyborane.
What is the SMILES notation for (2,6-dimethylphenyl)-dimethoxyborane?
The canonical SMILES for (2,6-dimethylphenyl)-dimethoxyborane is COB(OC)c1c(C)cccc1C.
What is the InChIKey of (2,6-dimethylphenyl)-dimethoxyborane?
The InChIKey is MNGIYPOOGRHPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO2/c1-8-6-5-7-9(2)10(8)11(12-3)13-4/h5-7H,1-4H3.
What are the key properties of (2,6-dimethylphenyl)-dimethoxyborane?
(2,6-dimethylphenyl)-dimethoxyborane has a molecular weight of 178.04 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-dimethoxyborane is sourced from PubChem (CID 59583139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).