4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane

C10H21BO2 — CID 123437819

IUPAC4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane
SMILESCC(C)CB1OCC(C)C(C)(C)O1
InChIInChI=1S/C10H21BO2/c1-8(2)6-11-12-7-9(3)10(4,5)13-11/h8-9H,6-7H2,1-5H3
InChIKeyGHAZXJBQQCNKLI-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.59
Rot. Bonds2

About 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane

4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane (PubChem CID 123437819) has the molecular formula C10H21BO2 and a molecular weight of 184.09 g/mol. Its IUPAC name is 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane.

Molecular Properties

Compound Name4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane
PubChem CID123437819
Molecular FormulaC10H21BO2
Molecular Weight184.09 g/mol
Exact Mass184.16
IUPAC Name4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane
SMILESCC(C)CB1OCC(C)C(C)(C)O1
InChIInChI=1S/C10H21BO2/c1-8(2)6-11-12-7-9(3)10(4,5)13-11/h8-9H,6-7H2,1-5H3
InChIKeyGHAZXJBQQCNKLI-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane 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 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane?
The IUPAC name of 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane (CID 123437819) is 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane.
What is the SMILES notation for 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane?
The canonical SMILES for 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane is CC(C)CB1OCC(C)C(C)(C)O1.
What is the InChIKey of 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane?
The InChIKey is GHAZXJBQQCNKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO2/c1-8(2)6-11-12-7-9(3)10(4,5)13-11/h8-9H,6-7H2,1-5H3.
What are the key properties of 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane?
4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane has a molecular weight of 184.09 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane is sourced from PubChem (CID 123437819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).