butylperoxycyclopropane

C7H14O2 — CID 154255203

IUPACbutylperoxycyclopropane
SMILESCCCCOOC1CC1
InChIInChI=1S/C7H14O2/c1-2-3-6-8-9-7-4-5-7/h7H,2-6H2,1H3
InChIKeyIWQHRQDKCFLRNQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.90
Rot. Bonds5

About butylperoxycyclopropane

butylperoxycyclopropane (PubChem CID 154255203) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is butylperoxycyclopropane.

Molecular Properties

Compound Namebutylperoxycyclopropane
PubChem CID154255203
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Namebutylperoxycyclopropane
SMILESCCCCOOC1CC1
InChIInChI=1S/C7H14O2/c1-2-3-6-8-9-7-4-5-7/h7H,2-6H2,1H3
InChIKeyIWQHRQDKCFLRNQ-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.90
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'}

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Related Compounds

butylperoxycyclobutane
CID 151578639
1-butylperoxybutane
CID 159275797
ethylperoxycyclopropane
CID 142258927
1-butylperoxybutane;cyclooctane
CID 140991302
1-butylperoxybutane;hydrate
CID 158567350
1-(3-ethoxypropylperoxy)butane
CID 154387522
1-butylperoxybutane;hydrogen peroxide
CID 162033267
1-octylperoxynonane
CID 151564626
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337
butylperoxymethylcyclohexane
CID 139855093
3-bromopropylperoxycyclobutane
CID 151494291

Frequently Asked Questions

What is the IUPAC name of butylperoxycyclopropane?
The IUPAC name of butylperoxycyclopropane (CID 154255203) is butylperoxycyclopropane.
What is the SMILES notation for butylperoxycyclopropane?
The canonical SMILES for butylperoxycyclopropane is CCCCOOC1CC1.
What is the InChIKey of butylperoxycyclopropane?
The InChIKey is IWQHRQDKCFLRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-3-6-8-9-7-4-5-7/h7H,2-6H2,1H3.
What are the key properties of butylperoxycyclopropane?
butylperoxycyclopropane has a molecular weight of 130.19 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylperoxycyclopropane is sourced from PubChem (CID 154255203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).