(1-hydroperoxycyclohex-3-en-1-yl)benzene

C12H14O2 — CID 570693

IUPAC(1-hydroperoxycyclohex-3-en-1-yl)benzene
SMILESOOC1(c2ccccc2)CC=CCC1
InChIInChI=1S/C12H14O2/c13-14-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1-5,7-8,13H,6,9-10H2
InChIKeyQNLOCQYKHHPEPB-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.11
Rot. Bonds2

About (1-hydroperoxycyclohex-3-en-1-yl)benzene

(1-hydroperoxycyclohex-3-en-1-yl)benzene (PubChem CID 570693) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1-hydroperoxycyclohex-3-en-1-yl)benzene.

Molecular Properties

Compound Name(1-hydroperoxycyclohex-3-en-1-yl)benzene
PubChem CID570693
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1-hydroperoxycyclohex-3-en-1-yl)benzene
SMILESOOC1(c2ccccc2)CC=CCC1
InChIInChI=1S/C12H14O2/c13-14-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1-5,7-8,13H,6,9-10H2
InChIKeyQNLOCQYKHHPEPB-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
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

spiro[cyclohexene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
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1-phenylcyclobut-2-en-1-ol
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(1-methylcyclohex-3-en-1-yl) benzoate
CID 134859069
(1-phenylcyclopropyl) acetate
CID 121216912
(1-tert-butylperoxycyclopent-2-en-1-yl)benzene
CID 102271820
(1-iodocyclopropyl)benzene
CID 68648417
1-phenylcyclohexane-1-thiol
CID 19348891
(1-phenylcyclopentyl) hydrogen sulfite
CID 66796702
(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol
CID 10987365
3-chloro-3-(1-phenylcyclopropyl)oxydiazirine
CID 101347638
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
(1-phenylcyclopropyl) N-methylcarbamate
CID 174645561

Frequently Asked Questions

What is the IUPAC name of (1-hydroperoxycyclohex-3-en-1-yl)benzene?
The IUPAC name of (1-hydroperoxycyclohex-3-en-1-yl)benzene (CID 570693) is (1-hydroperoxycyclohex-3-en-1-yl)benzene.
What is the SMILES notation for (1-hydroperoxycyclohex-3-en-1-yl)benzene?
The canonical SMILES for (1-hydroperoxycyclohex-3-en-1-yl)benzene is OOC1(c2ccccc2)CC=CCC1.
What is the InChIKey of (1-hydroperoxycyclohex-3-en-1-yl)benzene?
The InChIKey is QNLOCQYKHHPEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-14-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1-5,7-8,13H,6,9-10H2.
What are the key properties of (1-hydroperoxycyclohex-3-en-1-yl)benzene?
(1-hydroperoxycyclohex-3-en-1-yl)benzene has a molecular weight of 190.24 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroperoxycyclohex-3-en-1-yl)benzene is sourced from PubChem (CID 570693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).