2-methylhexan-2-ylperoxybenzene

C13H20O2 — CID 151514509

IUPAC2-methylhexan-2-ylperoxybenzene
SMILESCCCCC(C)(C)OOc1ccccc1
InChIInChI=1S/C13H20O2/c1-4-5-11-13(2,3)15-14-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyPTEGJMAJDFWDDG-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.97
Rot. Bonds6

About 2-methylhexan-2-ylperoxybenzene

2-methylhexan-2-ylperoxybenzene (PubChem CID 151514509) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methylhexan-2-ylperoxybenzene.

Molecular Properties

Compound Name2-methylhexan-2-ylperoxybenzene
PubChem CID151514509
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-methylhexan-2-ylperoxybenzene
SMILESCCCCC(C)(C)OOc1ccccc1
InChIInChI=1S/C13H20O2/c1-4-5-11-13(2,3)15-14-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyPTEGJMAJDFWDDG-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
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-methylpentan-2-ylperoxybenzene
CID 22765784
1-(2-methylheptan-2-ylperoxy)-4-propan-2-ylbenzene
CID 101301269
2-methylhexan-2-yloxymethylbenzene
CID 134222440
2-methylheptan-2-yl-bis(2-methylheptan-2-yloxy)-phenoxyphosphanium
CID 21499229
3-methyloct-1-yn-3-yloxybenzene
CID 10398427
2-methyldodecan-2-yloxy benzenecarboperoxoate
CID 174353000
2-methylhexan-2-yl phenylmethanesulfonate
CID 139969051
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
1,1-diphenoxydecoxybenzene
CID 150135541
1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol
CID 163973331
(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
CID 150202731
propylperoxybenzene
CID 87444466

Frequently Asked Questions

What is the IUPAC name of 2-methylhexan-2-ylperoxybenzene?
The IUPAC name of 2-methylhexan-2-ylperoxybenzene (CID 151514509) is 2-methylhexan-2-ylperoxybenzene.
What is the SMILES notation for 2-methylhexan-2-ylperoxybenzene?
The canonical SMILES for 2-methylhexan-2-ylperoxybenzene is CCCCC(C)(C)OOc1ccccc1.
What is the InChIKey of 2-methylhexan-2-ylperoxybenzene?
The InChIKey is PTEGJMAJDFWDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-11-13(2,3)15-14-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 2-methylhexan-2-ylperoxybenzene?
2-methylhexan-2-ylperoxybenzene has a molecular weight of 208.30 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-2-ylperoxybenzene is sourced from PubChem (CID 151514509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).