dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane

C12H26B2O3 — CID 581619

IUPACdipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane
SMILESCCCB(CCC)OC1COB(CCC)OC1
InChIInChI=1S/C12H26B2O3/c1-4-7-13(8-5-2)17-12-10-15-14(9-6-3)16-11-12/h12H,4-11H2,1-3H3
InChIKeyXROFRSYEFJJXQN-UHFFFAOYSA-N
MW239.96 g/mol
LogP3.13
Rot. Bonds8

About dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane

dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane (PubChem CID 581619) has the molecular formula C12H26B2O3 and a molecular weight of 239.96 g/mol. Its IUPAC name is dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane.

Molecular Properties

Compound Namedipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane
PubChem CID581619
Molecular FormulaC12H26B2O3
Molecular Weight239.96 g/mol
Exact Mass240.21
IUPAC Namedipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane
SMILESCCCB(CCC)OC1COB(CCC)OC1
InChIInChI=1S/C12H26B2O3/c1-4-7-13(8-5-2)17-12-10-15-14(9-6-3)16-11-12/h12H,4-11H2,1-3H3
InChIKeyXROFRSYEFJJXQN-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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'}

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Related Compounds

Triisopropoxyboroxine
CID 4186943
1,3,2-Dioxaborinane, 2-butoxy-4-methyl-
CID 582093
(2-Ethyl-1,3,2-dioxaborinan-4-yl)methyl diethylborinate
CID 535187
2,5-Dibora-1,4-dioxane, 2,3,5,6-tetraethyl-
CID 549995
(2-Ethyl-1,3,2-dioxaborolan-4-yl)methyl diethylborinate
CID 574746
Dipropyl-[(2-propyl-1,3,2-dioxaborolan-4-yl)methoxy]borane
CID 581620
diethyl-[[(4R)-2-ethyl-1,3,2-dioxaborolan-4-yl]methoxy]borane
CID 642709
4,6-Dimethyl-2-(propan-2-yl)-1,3,2-dioxaborinane
CID 13157947
2,4,6-Tri(butan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane
CID 102309481
2-Butyl-4-methyl-1,3,2-dioxaborinane
CID 139789197
2,4-Dimethyl-1,3,2-dioxaborinane;ethane
CID 145526433
2-[2-(1,3,2-Dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane
CID 153035584

Frequently Asked Questions

What is the IUPAC name of dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane?
The IUPAC name of dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane (CID 581619) is dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane.
What is the SMILES notation for dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane?
The canonical SMILES for dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane is CCCB(CCC)OC1COB(CCC)OC1.
What is the InChIKey of dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane?
The InChIKey is XROFRSYEFJJXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26B2O3/c1-4-7-13(8-5-2)17-12-10-15-14(9-6-3)16-11-12/h12H,4-11H2,1-3H3.
What are the key properties of dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane?
dipropyl-[(2-propyl-1,3,2-dioxaborinan-5-yl)oxy]borane has a molecular weight of 239.96 g/mol, XLogP of 3.13, 8 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-dioxaborinan-5-yl)oxy]borane is sourced from PubChem (CID 581619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).