propyl ethaneperoxoate

C10H20O6 — CID 160583975

IUPACpropyl ethaneperoxoate
SMILESCCCOOC(C)=O.CCCOOC(C)=O
InChIInChI=1S/2C5H10O3/c2*1-3-4-7-8-5(2)6/h2*3-4H2,1-2H3
InChIKeyRCDKLQYSFLEWPA-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.78
Rot. Bonds6

About propyl ethaneperoxoate

propyl ethaneperoxoate (PubChem CID 160583975) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is propyl ethaneperoxoate.

Molecular Properties

Compound Namepropyl ethaneperoxoate
PubChem CID160583975
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Namepropyl ethaneperoxoate
SMILESCCCOOC(C)=O.CCCOOC(C)=O
InChIInChI=1S/2C5H10O3/c2*1-3-4-7-8-5(2)6/h2*3-4H2,1-2H3
InChIKeyRCDKLQYSFLEWPA-UHFFFAOYSA-N
XLogP1.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze propyl ethaneperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate
CID 174290784
2-dodecoxyethyl ethaneperoxoate
CID 87945521
methyl propoxy carbonate
CID 150518798
4-propylperoxybutyl acetate
CID 151563816
propyl 2-hydroxypropaneperoxoate
CID 91194019
propyl acetate;hydrate
CID 122690555
2-methoxyethoxymethyl ethaneperoxoate
CID 22938292
propyl piperidine-1-carboperoxoate
CID 140533006
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propyl 2,3-dimethylbut-2-eneperoxoate
CID 175012519
acetyl ethaneperoxoate;rhodium
CID 175911498
acetyl ethaneperoxoate;propan-2-one
CID 21225532
acetyl ethaneperoxoate;ethane
CID 91004145

Frequently Asked Questions

What is the IUPAC name of propyl ethaneperoxoate?
The IUPAC name of propyl ethaneperoxoate (CID 160583975) is propyl ethaneperoxoate.
What is the SMILES notation for propyl ethaneperoxoate?
The canonical SMILES for propyl ethaneperoxoate is CCCOOC(C)=O.CCCOOC(C)=O.
What is the InChIKey of propyl ethaneperoxoate?
The InChIKey is RCDKLQYSFLEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O3/c2*1-3-4-7-8-5(2)6/h2*3-4H2,1-2H3.
What are the key properties of propyl ethaneperoxoate?
propyl ethaneperoxoate has a molecular weight of 236.26 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl ethaneperoxoate is sourced from PubChem (CID 160583975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).