methane;methyl ethaneperoxoate

C4H10O3 — CID 158693501

IUPACmethane;methyl ethaneperoxoate
SMILESC.COOC(C)=O
InChIInChI=1S/C3H6O3.CH4/c1-3(4)6-5-2;/h1-2H3;1H4
InChIKeyIGQLRZQVBPKGAJ-UHFFFAOYSA-N
MW106.12 g/mol
LogP0.75
Rot. Bonds1

About methane;methyl ethaneperoxoate

methane;methyl ethaneperoxoate (PubChem CID 158693501) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is methane;methyl ethaneperoxoate.

Molecular Properties

Compound Namemethane;methyl ethaneperoxoate
PubChem CID158693501
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Namemethane;methyl ethaneperoxoate
SMILESC.COOC(C)=O
InChIInChI=1S/C3H6O3.CH4/c1-3(4)6-5-2;/h1-2H3;1H4
InChIKeyIGQLRZQVBPKGAJ-UHFFFAOYSA-N
XLogP0.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Diacetyl peroxide
CID 8040
Trimethyllead acetate
CID 16683281
Trimethyltin acetate
CID 16683364
Germane, acetoxytrimethyl-
CID 16684202
Ethylmercury acetate
CID 7999
Methyl ethaneperoxoate
CID 14202767
(Acetato-kappaO)ethylmercury
CID 21313703
Dimethylthallium acetate
CID 16692919
Ethyl ethaneperoxoate
CID 14496913
Acetoxy peroxide
CID 18755730
Acetate oxygen
CID 19362196
Butyl ethaneperoxoate
CID 20508834

Frequently Asked Questions

What is the IUPAC name of methane;methyl ethaneperoxoate?
The IUPAC name of methane;methyl ethaneperoxoate (CID 158693501) is methane;methyl ethaneperoxoate.
What is the SMILES notation for methane;methyl ethaneperoxoate?
The canonical SMILES for methane;methyl ethaneperoxoate is C.COOC(C)=O.
What is the InChIKey of methane;methyl ethaneperoxoate?
The InChIKey is IGQLRZQVBPKGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.CH4/c1-3(4)6-5-2;/h1-2H3;1H4.
What are the key properties of methane;methyl ethaneperoxoate?
methane;methyl ethaneperoxoate has a molecular weight of 106.12 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl ethaneperoxoate is sourced from PubChem (CID 158693501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).