2-(octylperoxymethyl)oxirane

C11H22O3 — CID 174601201

IUPAC2-(octylperoxymethyl)oxirane
SMILESCCCCCCCCOOCC1CO1
InChIInChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-13-14-10-11-9-12-11/h11H,2-10H2,1H3
InChIKeySCTTVRGAVXFCAJ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.69
Rot. Bonds10

About 2-(octylperoxymethyl)oxirane

2-(octylperoxymethyl)oxirane (PubChem CID 174601201) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(octylperoxymethyl)oxirane.

Molecular Properties

Compound Name2-(octylperoxymethyl)oxirane
PubChem CID174601201
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(octylperoxymethyl)oxirane
SMILESCCCCCCCCOOCC1CO1
InChIInChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-13-14-10-11-9-12-11/h11H,2-10H2,1H3
InChIKeySCTTVRGAVXFCAJ-UHFFFAOYSA-N
XLogP2.69
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(octylperoxymethyl)oxirane 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

2-(propylperoxymethyl)oxirane
CID 54276351
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(hexylperoxymethyl)oxolane
CID 88781024
2-(pentoxymethyl)oxirane
CID 160890113
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of 2-(octylperoxymethyl)oxirane?
The IUPAC name of 2-(octylperoxymethyl)oxirane (CID 174601201) is 2-(octylperoxymethyl)oxirane.
What is the SMILES notation for 2-(octylperoxymethyl)oxirane?
The canonical SMILES for 2-(octylperoxymethyl)oxirane is CCCCCCCCOOCC1CO1.
What is the InChIKey of 2-(octylperoxymethyl)oxirane?
The InChIKey is SCTTVRGAVXFCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-13-14-10-11-9-12-11/h11H,2-10H2,1H3.
What are the key properties of 2-(octylperoxymethyl)oxirane?
2-(octylperoxymethyl)oxirane has a molecular weight of 202.29 g/mol, XLogP of 2.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octylperoxymethyl)oxirane is sourced from PubChem (CID 174601201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).