(1-tert-butylperoxycyclopent-2-en-1-yl)benzene

C15H20O2 — CID 102271820

IUPAC(1-tert-butylperoxycyclopent-2-en-1-yl)benzene
SMILESCC(C)(C)OOC1(c2ccccc2)C=CCC1
InChIInChI=1S/C15H20O2/c1-14(2,3)16-17-15(11-7-8-12-15)13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3
InChIKeyRHPWIQXNTDCOLB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.98
Rot. Bonds3

About (1-tert-butylperoxycyclopent-2-en-1-yl)benzene

(1-tert-butylperoxycyclopent-2-en-1-yl)benzene (PubChem CID 102271820) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1-tert-butylperoxycyclopent-2-en-1-yl)benzene.

Molecular Properties

Compound Name(1-tert-butylperoxycyclopent-2-en-1-yl)benzene
PubChem CID102271820
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1-tert-butylperoxycyclopent-2-en-1-yl)benzene
SMILESCC(C)(C)OOC1(c2ccccc2)C=CCC1
InChIInChI=1S/C15H20O2/c1-14(2,3)16-17-15(11-7-8-12-15)13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3
InChIKeyRHPWIQXNTDCOLB-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(tert-butylperoxy)cyclohexene
CID 141189915
ethyl 1-phenylcyclopent-2-ene-1-carboxylate
CID 10420867
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
CID 15579859
(1-hydroperoxycyclohex-3-en-1-yl)benzene
CID 570693
2-(1-phenylcyclopentyl)propan-2-ol
CID 131445043
benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
CID 87385719
tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate
CID 175653869
2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide
CID 172680598
(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
CID 91116879
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
CID 102345334
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-phenylpiperidin-4-yl)carbamate
CID 139535435
4-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenylcyclobut-2-en-1-one
CID 102499423

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylperoxycyclopent-2-en-1-yl)benzene?
The IUPAC name of (1-tert-butylperoxycyclopent-2-en-1-yl)benzene (CID 102271820) is (1-tert-butylperoxycyclopent-2-en-1-yl)benzene.
What is the SMILES notation for (1-tert-butylperoxycyclopent-2-en-1-yl)benzene?
The canonical SMILES for (1-tert-butylperoxycyclopent-2-en-1-yl)benzene is CC(C)(C)OOC1(c2ccccc2)C=CCC1.
What is the InChIKey of (1-tert-butylperoxycyclopent-2-en-1-yl)benzene?
The InChIKey is RHPWIQXNTDCOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-14(2,3)16-17-15(11-7-8-12-15)13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3.
What are the key properties of (1-tert-butylperoxycyclopent-2-en-1-yl)benzene?
(1-tert-butylperoxycyclopent-2-en-1-yl)benzene has a molecular weight of 232.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylperoxycyclopent-2-en-1-yl)benzene is sourced from PubChem (CID 102271820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).