5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane

C9H19BO3 — CID 133065054

IUPAC5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane
SMILESCOC1(C)COB(C(C)C)OC1C
InChIInChI=1S/C9H19BO3/c1-7(2)10-12-6-9(4,11-5)8(3)13-10/h7-8H,6H2,1-5H3
InChIKeyCBZIEHYSFHNHRY-UHFFFAOYSA-N
MW186.06 g/mol
LogP1.73
Rot. Bonds2

About 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane

5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane (PubChem CID 133065054) has the molecular formula C9H19BO3 and a molecular weight of 186.06 g/mol. Its IUPAC name is 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane
PubChem CID133065054
Molecular FormulaC9H19BO3
Molecular Weight186.06 g/mol
Exact Mass186.14
IUPAC Name5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane
SMILESCOC1(C)COB(C(C)C)OC1C
InChIInChI=1S/C9H19BO3/c1-7(2)10-12-6-9(4,11-5)8(3)13-10/h7-8H,6H2,1-5H3
InChIKeyCBZIEHYSFHNHRY-UHFFFAOYSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-5-methyl-2-(propan-2-yl)-1,3,2-dioxaborinane
CID 13157926
2-Isopropyl-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 13053053
4,4-Dimethyl-2-propan-2-yl-1,3,2-dioxaborinane
CID 57548699
2-tert-Butyl-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 57971760
2-Ethyl-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 85995587
2-(2-Propan-2-yloxypropan-2-yl)-1,4-dioxane
CID 139637246
Ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane
CID 143798610
Ethane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane
CID 143798639
Ethane;4,4,6-trimethyl-2-propan-2-yl-1,3,2-dioxaborinane
CID 145413158
Ethane;2,4,4-trimethyl-1,3,2-dioxaborinane
CID 145526428
CID 173790701
CID 173790701
4,4,6-Trimethyl-2-(2-methylbutan-2-yl)-1,3,2-dioxaborinane
CID 173827304

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane?
The IUPAC name of 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane (CID 133065054) is 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane.
What is the SMILES notation for 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane?
The canonical SMILES for 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane is COC1(C)COB(C(C)C)OC1C.
What is the InChIKey of 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane?
The InChIKey is CBZIEHYSFHNHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3/c1-7(2)10-12-6-9(4,11-5)8(3)13-10/h7-8H,6H2,1-5H3.
What are the key properties of 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane?
5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane has a molecular weight of 186.06 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane is sourced from PubChem (CID 133065054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).