butylperoxycyclobutane

C8H16O2 — CID 151578639

IUPACbutylperoxycyclobutane
SMILESCCCCOOC1CCC1
InChIInChI=1S/C8H16O2/c1-2-3-7-9-10-8-5-4-6-8/h8H,2-7H2,1H3
InChIKeyQFZOUNIJVYZZQJ-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.29
Rot. Bonds5

About butylperoxycyclobutane

butylperoxycyclobutane (PubChem CID 151578639) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is butylperoxycyclobutane.

Molecular Properties

Compound Namebutylperoxycyclobutane
PubChem CID151578639
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namebutylperoxycyclobutane
SMILESCCCCOOC1CCC1
InChIInChI=1S/C8H16O2/c1-2-3-7-9-10-8-5-4-6-8/h8H,2-7H2,1H3
InChIKeyQFZOUNIJVYZZQJ-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 butylperoxycyclobutane 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

butylperoxycyclopropane
CID 154255203
3-bromopropylperoxycyclobutane
CID 151494291
1-butylperoxybutane;cyclooctane
CID 140991302
butoxycyclobutane
CID 54057236
2-butoxyethoxycyclobutane
CID 150038799
1-butylperoxybutane
CID 159275797
1-butylperoxybutane;hydrate
CID 158567350
butylperoxymethylcyclohexane
CID 139855093
1-butylperoxybutane;hydrogen peroxide
CID 162033267
1-octylperoxynonane
CID 151564626
butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide
CID 171539171
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of butylperoxycyclobutane?
The IUPAC name of butylperoxycyclobutane (CID 151578639) is butylperoxycyclobutane.
What is the SMILES notation for butylperoxycyclobutane?
The canonical SMILES for butylperoxycyclobutane is CCCCOOC1CCC1.
What is the InChIKey of butylperoxycyclobutane?
The InChIKey is QFZOUNIJVYZZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-7-9-10-8-5-4-6-8/h8H,2-7H2,1H3.
What are the key properties of butylperoxycyclobutane?
butylperoxycyclobutane has a molecular weight of 144.21 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylperoxycyclobutane is sourced from PubChem (CID 151578639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).