2-hydroxy-1,3,6,2-dioxazaborocane

C4H10BNO3 — CID 6451912

IUPAC2-hydroxy-1,3,6,2-dioxazaborocane
SMILESOB1OCCNCCO1
InChIInChI=1S/C4H10BNO3/c7-5-8-3-1-6-2-4-9-5/h6-7H,1-4H2
InChIKeyZGHXEEFARUMNRD-UHFFFAOYSA-N
MW130.94 g/mol
LogP-1.40
Rot. Bonds

About 2-hydroxy-1,3,6,2-dioxazaborocane

2-hydroxy-1,3,6,2-dioxazaborocane (PubChem CID 6451912) has the molecular formula C4H10BNO3 and a molecular weight of 130.94 g/mol. Its IUPAC name is 2-hydroxy-1,3,6,2-dioxazaborocane.

Molecular Properties

Compound Name2-hydroxy-1,3,6,2-dioxazaborocane
PubChem CID6451912
Molecular FormulaC4H10BNO3
Molecular Weight130.94 g/mol
Exact Mass131.08
IUPAC Name2-hydroxy-1,3,6,2-dioxazaborocane
SMILESOB1OCCNCCO1
InChIInChI=1S/C4H10BNO3/c7-5-8-3-1-6-2-4-9-5/h6-7H,1-4H2
InChIKeyZGHXEEFARUMNRD-UHFFFAOYSA-N
XLogP-1.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.94
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-1,3,6,2-dioxazaborocane
CID 129880135
1,3,6,2-Dioxazaborocane
CID 18401761
2,2-Dihydroxy-1,3,6,2-dioxazagermocane
CID 85693602
1,3-Dioxa-6-aza-2-germacyclooctane
CID 85693603
1,3-Dioxa-6-aza-2-silacyclooctane
CID 129652619
2-Ethyl-1,3,6,2-dioxazaborocane
CID 575031
2-Isopropyl-1,3,6,2-dioxazaborocane
CID 14399380
2-Methyl-1,3,6,2-dioxazaborocane
CID 20769568
Magnesium 2-(2-oxidoethylamino)ethanolate
CID 22956734
CID 87220905
CID 87220905
1,3,6,2-Dioxazagermocane
CID 88326696
1,3,6,2-Dioxazastannocane
CID 88803424

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3,6,2-dioxazaborocane?
The IUPAC name of 2-hydroxy-1,3,6,2-dioxazaborocane (CID 6451912) is 2-hydroxy-1,3,6,2-dioxazaborocane.
What is the SMILES notation for 2-hydroxy-1,3,6,2-dioxazaborocane?
The canonical SMILES for 2-hydroxy-1,3,6,2-dioxazaborocane is OB1OCCNCCO1.
What is the InChIKey of 2-hydroxy-1,3,6,2-dioxazaborocane?
The InChIKey is ZGHXEEFARUMNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BNO3/c7-5-8-3-1-6-2-4-9-5/h6-7H,1-4H2.
What are the key properties of 2-hydroxy-1,3,6,2-dioxazaborocane?
2-hydroxy-1,3,6,2-dioxazaborocane has a molecular weight of 130.94 g/mol, XLogP of -1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3,6,2-dioxazaborocane is sourced from PubChem (CID 6451912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).