methylperoxycyclopentane

C6H12O2 — CID 87302359

IUPACmethylperoxycyclopentane
SMILESCOOC1CCCC1
InChIInChI=1S/C6H12O2/c1-7-8-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyXRCVVDVQQJLSIP-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.51
Rot. Bonds2

About methylperoxycyclopentane

methylperoxycyclopentane (PubChem CID 87302359) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is methylperoxycyclopentane.

Molecular Properties

Compound Namemethylperoxycyclopentane
PubChem CID87302359
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Namemethylperoxycyclopentane
SMILESCOOC1CCCC1
InChIInChI=1S/C6H12O2/c1-7-8-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyXRCVVDVQQJLSIP-UHFFFAOYSA-N
XLogP1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze methylperoxycyclopentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylperoxycyclopentane?
The IUPAC name of methylperoxycyclopentane (CID 87302359) is methylperoxycyclopentane.
What is the SMILES notation for methylperoxycyclopentane?
The canonical SMILES for methylperoxycyclopentane is COOC1CCCC1.
What is the InChIKey of methylperoxycyclopentane?
The InChIKey is XRCVVDVQQJLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-7-8-6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of methylperoxycyclopentane?
methylperoxycyclopentane has a molecular weight of 116.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxycyclopentane is sourced from PubChem (CID 87302359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).