cyclopropane;methyl ethaneperoxoate

C6H12O3 — CID 19892632

IUPACcyclopropane;methyl ethaneperoxoate
SMILESC1CC1.COOC(C)=O
InChIInChI=1S/C3H6O3.C3H6/c1-3(4)6-5-2;1-2-3-1/h1-2H3;1-3H2
InChIKeyFMYRIZBSSZXTFK-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.28
Rot. Bonds1

About cyclopropane;methyl ethaneperoxoate

cyclopropane;methyl ethaneperoxoate (PubChem CID 19892632) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is cyclopropane;methyl ethaneperoxoate.

Molecular Properties

Compound Namecyclopropane;methyl ethaneperoxoate
PubChem CID19892632
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namecyclopropane;methyl ethaneperoxoate
SMILESC1CC1.COOC(C)=O
InChIInChI=1S/C3H6O3.C3H6/c1-3(4)6-5-2;1-2-3-1/h1-2H3;1-3H2
InChIKeyFMYRIZBSSZXTFK-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.28
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

λ2-plumbane;methyl ethaneperoxoate
CID 173188596
methane;methyl ethaneperoxoate
CID 158693501
tetrakis(cyclohexane);methyl acetate
CID 159246653
butan-1-ol;methyl ethaneperoxoate
CID 88764888
acetyl ethaneperoxoate;ethane
CID 91004145
acetyl ethaneperoxoate;propan-2-one
CID 21225532
acetyl ethaneperoxoate;rhodium
CID 175911498
methyl acetate;ruthenium
CID 160799101
cyclohexane;ethane;bis(propan-2-one)
CID 160732509
cyclopropane;2-methoxyethyl acetate
CID 69413766
acetyloxyperoxy ethaneperoxoate
CID 171629895
methoxy hydrogen carbonate
CID 19018247

Frequently Asked Questions

What is the IUPAC name of cyclopropane;methyl ethaneperoxoate?
The IUPAC name of cyclopropane;methyl ethaneperoxoate (CID 19892632) is cyclopropane;methyl ethaneperoxoate.
What is the SMILES notation for cyclopropane;methyl ethaneperoxoate?
The canonical SMILES for cyclopropane;methyl ethaneperoxoate is C1CC1.COOC(C)=O.
What is the InChIKey of cyclopropane;methyl ethaneperoxoate?
The InChIKey is FMYRIZBSSZXTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C3H6/c1-3(4)6-5-2;1-2-3-1/h1-2H3;1-3H2.
What are the key properties of cyclopropane;methyl ethaneperoxoate?
cyclopropane;methyl ethaneperoxoate has a molecular weight of 132.16 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;methyl ethaneperoxoate is sourced from PubChem (CID 19892632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).