but-1-enylperoxybenzene

C10H12O2 — CID 140759609

IUPACbut-1-enylperoxybenzene
SMILESCCC=COOc1ccccc1
InChIInChI=1S/C10H12O2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h3-9H,2H2,1H3
InChIKeyBCGDVROUPYCKAC-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.92
Rot. Bonds4

About but-1-enylperoxybenzene

but-1-enylperoxybenzene (PubChem CID 140759609) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is but-1-enylperoxybenzene.

Molecular Properties

Compound Namebut-1-enylperoxybenzene
PubChem CID140759609
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namebut-1-enylperoxybenzene
SMILESCCC=COOc1ccccc1
InChIInChI=1S/C10H12O2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h3-9H,2H2,1H3
InChIKeyBCGDVROUPYCKAC-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
2-but-1-enylperoxythiophene
CID 87147341
but-1-enylbenzene;phenoxybenzene
CID 175609674
1-benzhydryl-3-hexa-1,3-dienoxybenzene
CID 54283421
O-phenoxy methanethioate
CID 173099719
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene
CID 175227501
but-1-enyl benzenesulfonate
CID 142644575
[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene
CID 10726289
anthracene;(E)-hex-3-ene;propane
CID 144562643
but-2-enylperoxybenzene
CID 159061955
propylperoxybenzene
CID 87444466

Frequently Asked Questions

What is the IUPAC name of but-1-enylperoxybenzene?
The IUPAC name of but-1-enylperoxybenzene (CID 140759609) is but-1-enylperoxybenzene.
What is the SMILES notation for but-1-enylperoxybenzene?
The canonical SMILES for but-1-enylperoxybenzene is CCC=COOc1ccccc1.
What is the InChIKey of but-1-enylperoxybenzene?
The InChIKey is BCGDVROUPYCKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-9-11-12-10-7-5-4-6-8-10/h3-9H,2H2,1H3.
What are the key properties of but-1-enylperoxybenzene?
but-1-enylperoxybenzene has a molecular weight of 164.20 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enylperoxybenzene is sourced from PubChem (CID 140759609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).