acetyl ethaneperoxoate;ethane

C8H18O4 — CID 91004145

IUPACacetyl ethaneperoxoate;ethane
SMILESCC.CC.CC(=O)OOC(C)=O
InChIInChI=1S/C4H6O4.2C2H6/c1-3(5)7-8-4(2)6;2*1-2/h1-2H3;2*1-2H3
InChIKeyVXKFXMUVAOHCBD-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.08
Rot. Bonds

About acetyl ethaneperoxoate;ethane

acetyl ethaneperoxoate;ethane (PubChem CID 91004145) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is acetyl ethaneperoxoate;ethane.

Molecular Properties

Compound Nameacetyl ethaneperoxoate;ethane
PubChem CID91004145
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Nameacetyl ethaneperoxoate;ethane
SMILESCC.CC.CC(=O)OOC(C)=O
InChIInChI=1S/C4H6O4.2C2H6/c1-3(5)7-8-4(2)6;2*1-2/h1-2H3;2*1-2H3
InChIKeyVXKFXMUVAOHCBD-UHFFFAOYSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dibutyltin diacetate
CID 16682740
Beryllium oxyacetate
CID 3035396
Diacetyl peroxide
CID 8040
Triethylplumbyl acetate
CID 16683282
Dibutyllead diacetate
CID 16683116
Triethylstannyl acetate
CID 16682966
Triethylgermyl acetate
CID 16682786
Lead, diacetoxydiethyl-
CID 16684016
Plumbane, diacetoxydipropyl-
CID 16684030
Palladium, hexakis(mu-(acetato-kappaO:kappaO'))tri-, cyclo
CID 15361737
1,3-Diacetoxy-1,1,3,3-tetramethyldistannoxane
CID 16683964
Triacetoxybutylstannane
CID 16684010

Frequently Asked Questions

What is the IUPAC name of acetyl ethaneperoxoate;ethane?
The IUPAC name of acetyl ethaneperoxoate;ethane (CID 91004145) is acetyl ethaneperoxoate;ethane.
What is the SMILES notation for acetyl ethaneperoxoate;ethane?
The canonical SMILES for acetyl ethaneperoxoate;ethane is CC.CC.CC(=O)OOC(C)=O.
What is the InChIKey of acetyl ethaneperoxoate;ethane?
The InChIKey is VXKFXMUVAOHCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.2C2H6/c1-3(5)7-8-4(2)6;2*1-2/h1-2H3;2*1-2H3.
What are the key properties of acetyl ethaneperoxoate;ethane?
acetyl ethaneperoxoate;ethane has a molecular weight of 178.23 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl ethaneperoxoate;ethane is sourced from PubChem (CID 91004145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).