acetyloxyperoxy ethaneperoxoate

C4H6O7 — CID 171629895

IUPACacetyloxyperoxy ethaneperoxoate
SMILESCC(=O)OOOOOC(C)=O
InChIInChI=1S/C4H6O7/c1-3(5)7-9-11-10-8-4(2)6/h1-2H3
InChIKeyVBYFGFIIJZZFKR-UHFFFAOYSA-N
MW166.08 g/mol
LogP-0.18
Rot. Bonds4

About acetyloxyperoxy ethaneperoxoate

acetyloxyperoxy ethaneperoxoate (PubChem CID 171629895) has the molecular formula C4H6O7 and a molecular weight of 166.08 g/mol. Its IUPAC name is acetyloxyperoxy ethaneperoxoate.

Molecular Properties

Compound Nameacetyloxyperoxy ethaneperoxoate
PubChem CID171629895
Molecular FormulaC4H6O7
Molecular Weight166.08 g/mol
Exact Mass166.01
IUPAC Nameacetyloxyperoxy ethaneperoxoate
SMILESCC(=O)OOOOOC(C)=O
InChIInChI=1S/C4H6O7/c1-3(5)7-9-11-10-8-4(2)6/h1-2H3
InChIKeyVBYFGFIIJZZFKR-UHFFFAOYSA-N
XLogP-0.18
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.08
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

acetyl ethaneperoxoate;rhodium
CID 175911498
acetyl ethaneperoxoate;propan-2-one
CID 21225532
acetyl ethaneperoxoate;ethane
CID 91004145
acetylperoxy benzenecarboperoxoate
CID 154134678
hydroxy ethaneperoxoate;titanium
CID 88636548
methane;methyl ethaneperoxoate
CID 158693501
λ2-plumbane;methyl ethaneperoxoate
CID 173188596
bis(acetylperoxy)boranyl ethaneperoxoate
CID 86757842
cyclopropane;methyl ethaneperoxoate
CID 19892632
CID 142756508
CID 142756508
methyl acetate;ruthenium
CID 160799101
acetyl 2-methylpropaneperoxoate
CID 12601440

Frequently Asked Questions

What is the IUPAC name of acetyloxyperoxy ethaneperoxoate?
The IUPAC name of acetyloxyperoxy ethaneperoxoate (CID 171629895) is acetyloxyperoxy ethaneperoxoate.
What is the SMILES notation for acetyloxyperoxy ethaneperoxoate?
The canonical SMILES for acetyloxyperoxy ethaneperoxoate is CC(=O)OOOOOC(C)=O.
What is the InChIKey of acetyloxyperoxy ethaneperoxoate?
The InChIKey is VBYFGFIIJZZFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O7/c1-3(5)7-9-11-10-8-4(2)6/h1-2H3.
What are the key properties of acetyloxyperoxy ethaneperoxoate?
acetyloxyperoxy ethaneperoxoate has a molecular weight of 166.08 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxyperoxy ethaneperoxoate is sourced from PubChem (CID 171629895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).