2-(hexylperoxymethyl)oxolane

C11H22O3 — CID 88781024

IUPAC2-(hexylperoxymethyl)oxolane
SMILESCCCCCCOOCC1CCCO1
InChIInChI=1S/C11H22O3/c1-2-3-4-5-9-13-14-10-11-7-6-8-12-11/h11H,2-10H2,1H3
InChIKeyJGWZGNPOLFHHOD-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.69
Rot. Bonds8

About 2-(hexylperoxymethyl)oxolane

2-(hexylperoxymethyl)oxolane (PubChem CID 88781024) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(hexylperoxymethyl)oxolane.

Molecular Properties

Compound Name2-(hexylperoxymethyl)oxolane
PubChem CID88781024
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(hexylperoxymethyl)oxolane
SMILESCCCCCCOOCC1CCCO1
InChIInChI=1S/C11H22O3/c1-2-3-4-5-9-13-14-10-11-7-6-8-12-11/h11H,2-10H2,1H3
InChIKeyJGWZGNPOLFHHOD-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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'}

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Related Compounds

2-(octylperoxymethyl)oxirane
CID 174601201
butyl-[4-(oxolan-2-ylmethoxy)butyl]indigane
CID 150919009
dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane
CID 91743336
2-tetradecyloxolane
CID 10683364
hexyl oxan-2-ylmethyl carbonate
CID 67045710
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
2-hexyloxolane;oxolane
CID 173130151
1-O-nonyl 2-O-(oxolan-2-ylmethyl) benzene-1,2-dicarboxylate
CID 6421096
2-O-(oxolan-2-ylmethyl) 1-O-tetradecyl benzene-1,2-dicarboxylate
CID 6421095
hexyl 2-(oxolan-2-yl)acetate
CID 78876080
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535

Frequently Asked Questions

What is the IUPAC name of 2-(hexylperoxymethyl)oxolane?
The IUPAC name of 2-(hexylperoxymethyl)oxolane (CID 88781024) is 2-(hexylperoxymethyl)oxolane.
What is the SMILES notation for 2-(hexylperoxymethyl)oxolane?
The canonical SMILES for 2-(hexylperoxymethyl)oxolane is CCCCCCOOCC1CCCO1.
What is the InChIKey of 2-(hexylperoxymethyl)oxolane?
The InChIKey is JGWZGNPOLFHHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-3-4-5-9-13-14-10-11-7-6-8-12-11/h11H,2-10H2,1H3.
What are the key properties of 2-(hexylperoxymethyl)oxolane?
2-(hexylperoxymethyl)oxolane has a molecular weight of 202.29 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylperoxymethyl)oxolane is sourced from PubChem (CID 88781024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).