diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane

C10H22B2O3 — CID 535187

IUPACdiethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane
SMILESCCB(CC)OCC1CCOB(CC)O1
InChIInChI=1S/C10H22B2O3/c1-4-11(5-2)14-9-10-7-8-13-12(6-3)15-10/h10H,4-9H2,1-3H3
InChIKeyFOHBUYKFFMABPP-UHFFFAOYSA-N
MW211.91 g/mol
LogP2.35
Rot. Bonds6

About diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane

diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane (PubChem CID 535187) has the molecular formula C10H22B2O3 and a molecular weight of 211.91 g/mol. Its IUPAC name is diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane.

Molecular Properties

Compound Namediethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane
PubChem CID535187
Molecular FormulaC10H22B2O3
Molecular Weight211.91 g/mol
Exact Mass212.18
IUPAC Namediethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane
SMILESCCB(CC)OCC1CCOB(CC)O1
InChIInChI=1S/C10H22B2O3/c1-4-11(5-2)14-9-10-7-8-13-12(6-3)15-10/h10H,4-9H2,1-3H3
InChIKeyFOHBUYKFFMABPP-UHFFFAOYSA-N
XLogP2.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.91
LogP ≤ 52.35
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

1,3,2-Dioxaborinane, 2-butoxy-4-methyl-
CID 582093
2,6-Diethyltetrahydro[1,3,2]dioxaborinino[5,4-d][1,3,2]dioxaborinine
CID 567388
2-Propyl-1,3,2-dioxaborinan-5-yl dipropylborinate
CID 581619
4,6-Dimethyl-2-(propan-2-yl)-1,3,2-dioxaborinane
CID 13157947
2-Butyl-4-methyl-1,3,2-dioxaborinane
CID 139789197
2,4-Dimethyl-1,3,2-dioxaborinane;ethane
CID 145526433
Ethane;2,4,6-trimethyl-1,3,2-dioxaborinane
CID 153346336
2-(1,3,2-Dioxaborinan-2-yloxy)ethyl methyl propan-2-yl borate
CID 173861179
(4aS,8aS)-2,6-diethyl-4,4a,8,8a-tetrahydro-[1,3,2]dioxaborinino[5,4-d][1,3,2]dioxaborinine
CID 12669221
(4R,6S)-4,6-Dimethyl-2-(propan-2-yl)-1,3,2-dioxaborinane
CID 13157948
rel-(4R,6R)-2-Isopropyl-4,6-dimethyl-1,3,2-dioxaborinane
CID 13157949
(4S,6S)-4,6-Dimethyl-2-(propan-2-yl)-1,3,2-dioxaborinane
CID 71411168

Frequently Asked Questions

What is the IUPAC name of diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane?
The IUPAC name of diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane (CID 535187) is diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane.
What is the SMILES notation for diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane?
The canonical SMILES for diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane is CCB(CC)OCC1CCOB(CC)O1.
What is the InChIKey of diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane?
The InChIKey is FOHBUYKFFMABPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22B2O3/c1-4-11(5-2)14-9-10-7-8-13-12(6-3)15-10/h10H,4-9H2,1-3H3.
What are the key properties of diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane?
diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane has a molecular weight of 211.91 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(2-ethyl-1,3,2-dioxaborinan-4-yl)methoxy]borane is sourced from PubChem (CID 535187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).