(2-hydroperoxy-2-methylpropyl)benzene

C10H14O2 — CID 10986624

IUPAC(2-hydroperoxy-2-methylpropyl)benzene
SMILESCC(C)(Cc1ccccc1)OO
InChIInChI=1S/C10H14O2/c1-10(2,12-11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeySWYQVERVQJDMFB-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.50
Rot. Bonds3

About (2-hydroperoxy-2-methylpropyl)benzene

(2-hydroperoxy-2-methylpropyl)benzene (PubChem CID 10986624) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2-hydroperoxy-2-methylpropyl)benzene.

Molecular Properties

Compound Name(2-hydroperoxy-2-methylpropyl)benzene
PubChem CID10986624
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2-hydroperoxy-2-methylpropyl)benzene
SMILESCC(C)(Cc1ccccc1)OO
InChIInChI=1S/C10H14O2/c1-10(2,12-11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeySWYQVERVQJDMFB-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-2-propanol
CID 12053
2-Phenylethanol
CID 6054
Cumene Hydroperoxide
CID 6629
Dicumyl peroxide
CID 6641
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
2-Methyl-1-phenyl-2-propanol
CID 7531
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
Methyl phenethyl ether
CID 19089
Dimethyl benzyl carbinyl acetate
CID 9024
1-Phenyl-2-pentanol
CID 61202

Frequently Asked Questions

What is the IUPAC name of (2-hydroperoxy-2-methylpropyl)benzene?
The IUPAC name of (2-hydroperoxy-2-methylpropyl)benzene (CID 10986624) is (2-hydroperoxy-2-methylpropyl)benzene.
What is the SMILES notation for (2-hydroperoxy-2-methylpropyl)benzene?
The canonical SMILES for (2-hydroperoxy-2-methylpropyl)benzene is CC(C)(Cc1ccccc1)OO.
What is the InChIKey of (2-hydroperoxy-2-methylpropyl)benzene?
The InChIKey is SWYQVERVQJDMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2,12-11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3.
What are the key properties of (2-hydroperoxy-2-methylpropyl)benzene?
(2-hydroperoxy-2-methylpropyl)benzene has a molecular weight of 166.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroperoxy-2-methylpropyl)benzene is sourced from PubChem (CID 10986624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).