2-methylprop-2-enylperoxybenzene

C10H12O2 — CID 18359752

IUPAC2-methylprop-2-enylperoxybenzene
SMILESC=C(C)COOc1ccccc1
InChIInChI=1S/C10H12O2/c1-9(2)8-11-12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyXXQXGXIQGCTLAH-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.57
Rot. Bonds4

About 2-methylprop-2-enylperoxybenzene

2-methylprop-2-enylperoxybenzene (PubChem CID 18359752) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methylprop-2-enylperoxybenzene.

Molecular Properties

Compound Name2-methylprop-2-enylperoxybenzene
PubChem CID18359752
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methylprop-2-enylperoxybenzene
SMILESC=C(C)COOc1ccccc1
InChIInChI=1S/C10H12O2/c1-9(2)8-11-12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyXXQXGXIQGCTLAH-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': '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

Phenolate Sodium
CID 4445035
Hydron phenoxide
CID 20488062
Dibutyl phenyl phosphate
CID 17312
5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane
CID 76464
Dietholate
CID 36106
Trimethylphenoxysilane
CID 73720
Potassium phenoxide
CID 23670670
Phenoxyarsonous acid
CID 44395086
Triethylphenoxystannane
CID 16682829
Phenyl propan-2-yl hydrogen phosphate
CID 93246
Phenol, reaction products with hydrogen peroxide, distn. residues
CID 175673
Formaldehyde, reaction products with Bu alcohol and phenol
CID 175684

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enylperoxybenzene?
The IUPAC name of 2-methylprop-2-enylperoxybenzene (CID 18359752) is 2-methylprop-2-enylperoxybenzene.
What is the SMILES notation for 2-methylprop-2-enylperoxybenzene?
The canonical SMILES for 2-methylprop-2-enylperoxybenzene is C=C(C)COOc1ccccc1.
What is the InChIKey of 2-methylprop-2-enylperoxybenzene?
The InChIKey is XXQXGXIQGCTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-9(2)8-11-12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3.
What are the key properties of 2-methylprop-2-enylperoxybenzene?
2-methylprop-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 2-methylprop-2-enylperoxybenzene is sourced from PubChem (CID 18359752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).