dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane

C12H26B2O3 — CID 581620

IUPACdipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane
SMILESCCCB(CCC)OCC1COB(CCC)O1
InChIInChI=1S/C12H26B2O3/c1-4-7-13(8-5-2)15-10-12-11-16-14(17-12)9-6-3/h12H,4-11H2,1-3H3
InChIKeyMHOWTWDMTZYKJM-UHFFFAOYSA-N
MW239.96 g/mol
LogP3.13
Rot. Bonds9

About dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane

dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane (PubChem CID 581620) has the molecular formula C12H26B2O3 and a molecular weight of 239.96 g/mol. Its IUPAC name is dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane.

Molecular Properties

Compound Namedipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane
PubChem CID581620
Molecular FormulaC12H26B2O3
Molecular Weight239.96 g/mol
Exact Mass240.21
IUPAC Namedipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane
SMILESCCCB(CCC)OCC1COB(CCC)O1
InChIInChI=1S/C12H26B2O3/c1-4-7-13(8-5-2)15-10-12-11-16-14(17-12)9-6-3/h12H,4-11H2,1-3H3
InChIKeyMHOWTWDMTZYKJM-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.96
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane 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 dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane?
The IUPAC name of dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane (CID 581620) is dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane.
What is the SMILES notation for dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane?
The canonical SMILES for dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane is CCCB(CCC)OCC1COB(CCC)O1.
What is the InChIKey of dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane?
The InChIKey is MHOWTWDMTZYKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26B2O3/c1-4-7-13(8-5-2)15-10-12-11-16-14(17-12)9-6-3/h12H,4-11H2,1-3H3.
What are the key properties of dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane?
dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane has a molecular weight of 239.96 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane is sourced from PubChem (CID 581620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).