2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane

C10H21BO3 — CID 134889737

IUPAC2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane
SMILESCC1OB(OC(C)(C)C(C)C)OC1C
InChIInChI=1S/C10H21BO3/c1-7(2)10(5,6)14-11-12-8(3)9(4)13-11/h7-9H,1-6H3
InChIKeyYDRVGQPGUNLNDM-UHFFFAOYSA-N
MW200.09 g/mol
LogP2.25
Rot. Bonds3

About 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane

2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane (PubChem CID 134889737) has the molecular formula C10H21BO3 and a molecular weight of 200.09 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane
PubChem CID134889737
Molecular FormulaC10H21BO3
Molecular Weight200.09 g/mol
Exact Mass200.16
IUPAC Name2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane
SMILESCC1OB(OC(C)(C)C(C)C)OC1C
InChIInChI=1S/C10H21BO3/c1-7(2)10(5,6)14-11-12-8(3)9(4)13-11/h7-9H,1-6H3
InChIKeyYDRVGQPGUNLNDM-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane (CID 134889737) is 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane is CC1OB(OC(C)(C)C(C)C)OC1C.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane?
The InChIKey is YDRVGQPGUNLNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO3/c1-7(2)10(5,6)14-11-12-8(3)9(4)13-11/h7-9H,1-6H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane?
2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane has a molecular weight of 200.09 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 134889737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).