tetraacetyloxyboranuide

C8H12BO8- — CID 18516386

IUPACtetraacetyloxyboranuide
SMILESCC(=O)O[B-](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H12BO8/c1-5(10)14-9(15-6(2)11,16-7(3)12)17-8(4)13/h1-4H3/q-1
InChIKeyIIQKNZSFOUSEQP-UHFFFAOYSA-N
MW246.99 g/mol
LogP-0.33
Rot. Bonds4

About tetraacetyloxyboranuide

tetraacetyloxyboranuide (PubChem CID 18516386) has the molecular formula C8H12BO8- and a molecular weight of 246.99 g/mol. Its IUPAC name is tetraacetyloxyboranuide.

Molecular Properties

Compound Nametetraacetyloxyboranuide
PubChem CID18516386
Molecular FormulaC8H12BO8-
Molecular Weight246.99 g/mol
Exact Mass247.06
IUPAC Nametetraacetyloxyboranuide
SMILESCC(=O)O[B-](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H12BO8/c1-5(10)14-9(15-6(2)11,16-7(3)12)17-8(4)13/h1-4H3/q-1
InChIKeyIIQKNZSFOUSEQP-UHFFFAOYSA-N
XLogP-0.33
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.99
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetyloxy(trifluoro)boranuide;hydron
CID 165340094
methyl acetate;ruthenium
CID 160799101
acetic acid;ruthenium
CID 175502908
CID 87069860
CID 87069860
methyl acetate;titanium
CID 87665287
CID 160689228
CID 160689228
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034
acetyl acetate;chromium(2+)
CID 19978523
acetyl acetate;hydrochloride
CID 87138027
methane;methyl acetate
CID 162094565

Frequently Asked Questions

What is the IUPAC name of tetraacetyloxyboranuide?
The IUPAC name of tetraacetyloxyboranuide (CID 18516386) is tetraacetyloxyboranuide.
What is the SMILES notation for tetraacetyloxyboranuide?
The canonical SMILES for tetraacetyloxyboranuide is CC(=O)O[B-](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of tetraacetyloxyboranuide?
The InChIKey is IIQKNZSFOUSEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BO8/c1-5(10)14-9(15-6(2)11,16-7(3)12)17-8(4)13/h1-4H3/q-1.
What are the key properties of tetraacetyloxyboranuide?
tetraacetyloxyboranuide has a molecular weight of 246.99 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraacetyloxyboranuide is sourced from PubChem (CID 18516386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).