but-2-enylperoxybenzene

C10H12O2 — CID 159061955

IUPACbut-2-enylperoxybenzene
SMILESCC=CCOOc1ccccc1
InChIInChI=1S/C10H12O2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h2-8H,9H2,1H3
InChIKeyJYOVQGQMJAUXDK-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.57
Rot. Bonds4

About but-2-enylperoxybenzene

but-2-enylperoxybenzene (PubChem CID 159061955) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is but-2-enylperoxybenzene.

Molecular Properties

Compound Namebut-2-enylperoxybenzene
PubChem CID159061955
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namebut-2-enylperoxybenzene
SMILESCC=CCOOc1ccccc1
InChIInChI=1S/C10H12O2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h2-8H,9H2,1H3
InChIKeyJYOVQGQMJAUXDK-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

but-2-enoxybenzene
CID 564963
2-but-2-enylperoxypropan-2-ylbenzene
CID 57128435
phenylperoxymethanamine
CID 163956445
propylperoxybenzene
CID 87444466
methoxymethylperoxybenzene
CID 89305996
1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene
CID 171730184
but-2-enoxy(triphenyl)silane
CID 4292154
aluminum tris(but-2-enyl phenyl phosphate)
CID 173440624
hexa-2,4-dienoxybenzene;titanium
CID 87665934
[(E)-but-2-enyl] benzoate
CID 5352600
N-[(E)-but-2-enoxy]-1-phenylmethanamine
CID 100914451
octa-1,6-dienoxybenzene
CID 66617276

Frequently Asked Questions

What is the IUPAC name of but-2-enylperoxybenzene?
The IUPAC name of but-2-enylperoxybenzene (CID 159061955) is but-2-enylperoxybenzene.
What is the SMILES notation for but-2-enylperoxybenzene?
The canonical SMILES for but-2-enylperoxybenzene is CC=CCOOc1ccccc1.
What is the InChIKey of but-2-enylperoxybenzene?
The InChIKey is JYOVQGQMJAUXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h2-8H,9H2,1H3.
What are the key properties of but-2-enylperoxybenzene?
but-2-enylperoxybenzene has a molecular weight of 164.20 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enylperoxybenzene is sourced from PubChem (CID 159061955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).