2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H22BBrO2 — CID 57431235

IUPAC2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCCCCBr)OC1(C)C
InChIInChI=1S/C11H22BBrO2/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h5-9H2,1-4H3
InChIKeyQDCZBOIUGIVTAR-UHFFFAOYSA-N
MW277.01 g/mol
LogP3.64
Rot. Bonds5

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

2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 57431235) has the molecular formula C11H22BBrO2 and a molecular weight of 277.01 g/mol. Its IUPAC name is 2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID57431235
Molecular FormulaC11H22BBrO2
Molecular Weight277.01 g/mol
Exact Mass276.09
IUPAC Name2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCCCCBr)OC1(C)C
InChIInChI=1S/C11H22BBrO2/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h5-9H2,1-4H3
InChIKeyQDCZBOIUGIVTAR-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.01
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromopentyl)-4,4,5,5-tetramethyl-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-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 57431235) is 2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CCCCCBr)OC1(C)C.
What is the InChIKey of 2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QDCZBOIUGIVTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BBrO2/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9-13/h5-9H2,1-4H3.
What are the key properties of 2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 277.01 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 57431235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).