2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H23BO3 — CID 130067614

IUPAC2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)CC(B2OC(C)(C)C(C)(C)O2)CO1
InChIInChI=1S/C12H23BO3/c1-10(2)7-9(8-14-10)13-15-11(3,4)12(5,6)16-13/h9H,7-8H2,1-6H3
InChIKeyLILQMBBATSEPID-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.65
Rot. Bonds1

About 2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 130067614) has the molecular formula C12H23BO3 and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID130067614
Molecular FormulaC12H23BO3
Molecular Weight226.12 g/mol
Exact Mass226.17
IUPAC Name2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)CC(B2OC(C)(C)C(C)(C)O2)CO1
InChIInChI=1S/C12H23BO3/c1-10(2)7-9(8-14-10)13-15-11(3,4)12(5,6)16-13/h9H,7-8H2,1-6H3
InChIKeyLILQMBBATSEPID-UHFFFAOYSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 130067614) is 2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)CC(B2OC(C)(C)C(C)(C)O2)CO1.
What is the InChIKey of 2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LILQMBBATSEPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO3/c1-10(2)7-9(8-14-10)13-15-11(3,4)12(5,6)16-13/h9H,7-8H2,1-6H3.
What are the key properties of 2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 226.12 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyloxolan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 130067614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).