(2-tert-butylperoxy-4-methylpentan-2-yl)benzene

C16H26O2 — CID 54108901

IUPAC(2-tert-butylperoxy-4-methylpentan-2-yl)benzene
SMILESCC(C)CC(C)(OOC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O2/c1-13(2)12-16(6,18-17-15(3,4)5)14-10-8-7-9-11-14/h7-11,13H,12H2,1-6H3
InChIKeyNFRLJCROCJPKHM-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.69
Rot. Bonds5

About (2-tert-butylperoxy-4-methylpentan-2-yl)benzene

(2-tert-butylperoxy-4-methylpentan-2-yl)benzene (PubChem CID 54108901) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (2-tert-butylperoxy-4-methylpentan-2-yl)benzene.

Molecular Properties

Compound Name(2-tert-butylperoxy-4-methylpentan-2-yl)benzene
PubChem CID54108901
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(2-tert-butylperoxy-4-methylpentan-2-yl)benzene
SMILESCC(C)CC(C)(OOC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O2/c1-13(2)12-16(6,18-17-15(3,4)5)14-10-8-7-9-11-14/h7-11,13H,12H2,1-6H3
InChIKeyNFRLJCROCJPKHM-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.69
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-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene
CID 171749550
2,3,5-trimethylhexan-3-ylbenzene
CID 123149580
(2-tert-butylperoxy-1-diethoxyphosphorylpropan-2-yl)benzene
CID 154712033
methyl 4-tert-butylperoxy-2-[2-(4-methylphenyl)-2-oxoethyl]-4-phenylpentanoate
CID 175442862
(3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene
CID 23169940
(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene
CID 22369928
2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide
CID 172680598
(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene
CID 155030770
2-[3-[3-(2-phenylbutan-2-ylperoxy)pentan-3-ylperoxy]pentan-3-ylperoxy]butan-2-ylbenzene
CID 171749540
[(3S)-3,5-dimethylhex-1-yn-3-yl]benzene
CID 134861944
[1-bromo-2-(3-methylbutoxy)propan-2-yl]benzene
CID 114772949
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylperoxy-4-methylpentan-2-yl)benzene?
The IUPAC name of (2-tert-butylperoxy-4-methylpentan-2-yl)benzene (CID 54108901) is (2-tert-butylperoxy-4-methylpentan-2-yl)benzene.
What is the SMILES notation for (2-tert-butylperoxy-4-methylpentan-2-yl)benzene?
The canonical SMILES for (2-tert-butylperoxy-4-methylpentan-2-yl)benzene is CC(C)CC(C)(OOC(C)(C)C)c1ccccc1.
What is the InChIKey of (2-tert-butylperoxy-4-methylpentan-2-yl)benzene?
The InChIKey is NFRLJCROCJPKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-13(2)12-16(6,18-17-15(3,4)5)14-10-8-7-9-11-14/h7-11,13H,12H2,1-6H3.
What are the key properties of (2-tert-butylperoxy-4-methylpentan-2-yl)benzene?
(2-tert-butylperoxy-4-methylpentan-2-yl)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylperoxy-4-methylpentan-2-yl)benzene is sourced from PubChem (CID 54108901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).