2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane

C8H16B2O6 — CID 153035584

IUPAC2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane
SMILESCC(COB1OCCCO1)OB1OCCO1
InChIInChI=1S/C8H16B2O6/c1-8(16-10-13-5-6-14-10)7-15-9-11-3-2-4-12-9/h8H,2-7H2,1H3
InChIKeyVERFIAKGOBTRFP-UHFFFAOYSA-N
MW229.83 g/mol
LogP-0.14
Rot. Bonds5

About 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane

2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane (PubChem CID 153035584) has the molecular formula C8H16B2O6 and a molecular weight of 229.83 g/mol. Its IUPAC name is 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane
PubChem CID153035584
Molecular FormulaC8H16B2O6
Molecular Weight229.83 g/mol
Exact Mass230.11
IUPAC Name2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane
SMILESCC(COB1OCCCO1)OB1OCCO1
InChIInChI=1S/C8H16B2O6/c1-8(16-10-13-5-6-14-10)7-15-9-11-3-2-4-12-9/h8H,2-7H2,1H3
InChIKeyVERFIAKGOBTRFP-UHFFFAOYSA-N
XLogP-0.14
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.83
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Triisopropoxyboroxine
CID 4186943
(2-Ethyl-1,3,2-dioxaborolan-4-yl)methyl diethylborinate
CID 574746
2-Propyl-1,3,2-dioxaborinan-5-yl dipropylborinate
CID 581619
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
2-[2-(1,3,2-Dioxaborolan-2-yloxy)-3-[(4-methyl-1,3,2-dioxaborolan-2-yl)oxy]propoxy]-1,3,2-dioxaborinane
CID 59729683
2,4,6-Tri(butan-2-yloxy)-1,3,5,2,4,6-trioxatriborinane
CID 102309481
2-[(2-Methyl-1,3,2-dioxaborolan-4-yl)methyl]-1,3,2-dioxaborinane
CID 148778827
CID 158704536
CID 158704536
Diethoxy(methyl)borane;2,4-dimethyl-1,3,2-dioxaborolane;methylboronic acid;2-methyl-1,3,2-dioxaborinane
CID 160263742
2-(1,3,2-Dioxaborinan-2-yloxy)ethyl methyl propan-2-yl borate
CID 173861179
3-(1,3,2-Dioxaborinan-2-yloxy)propyl dipropan-2-yl borate
CID 173861180

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane?
The IUPAC name of 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane (CID 153035584) is 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane.
What is the SMILES notation for 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane?
The canonical SMILES for 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane is CC(COB1OCCCO1)OB1OCCO1.
What is the InChIKey of 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane?
The InChIKey is VERFIAKGOBTRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16B2O6/c1-8(16-10-13-5-6-14-10)7-15-9-11-3-2-4-12-9/h8H,2-7H2,1H3.
What are the key properties of 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane?
2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane has a molecular weight of 229.83 g/mol, XLogP of -0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3,2-dioxaborolan-2-yloxy)propoxy]-1,3,2-dioxaborinane is sourced from PubChem (CID 153035584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).