1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene

C20H34O4 — CID 134284311

IUPAC1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene
SMILESC[C@H](Cc1ccc(C[C@@H](C)OOC(C)(C)C)cc1)OOC(C)(C)C
InChIInChI=1S/C20H34O4/c1-15(21-23-19(3,4)5)13-17-9-11-18(12-10-17)14-16(2)22-24-20(6,7)8/h9-12,15-16H,13-14H2,1-8H3/t15-,16-/m1/s1
InChIKeyBUKZOQKPQZSQNW-HZPDHXFCSA-N
MW338.49 g/mol
LogP5.04
Rot. Bonds8

About 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene

1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene (PubChem CID 134284311) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene.

Molecular Properties

Compound Name1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene
PubChem CID134284311
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene
SMILESC[C@H](Cc1ccc(C[C@@H](C)OOC(C)(C)C)cc1)OOC(C)(C)C
InChIInChI=1S/C20H34O4/c1-15(21-23-19(3,4)5)13-17-9-11-18(12-10-17)14-16(2)22-24-20(6,7)8/h9-12,15-16H,13-14H2,1-8H3/t15-,16-/m1/s1
InChIKeyBUKZOQKPQZSQNW-HZPDHXFCSA-N
XLogP5.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene
CID 169006233
1-(2-hydroperoxypropyl)-4-[4-(2-hydroperoxypropyl)phenyl]benzene
CID 19009371
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
1-(3-bromo-2-ethylbutyl)-4-tert-butylbenzene
CID 63471410
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433
1,3,5-tris[2-(trioxidanyl)propyl]benzene
CID 141322649
2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 15136722
[(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene
CID 102271818
2-phenyl-1-(1-phenylpropan-2-yloxy)propan-2-ol
CID 67382362
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
1-tert-butylperoxyethyl carbamate
CID 175429288

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene?
The IUPAC name of 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene (CID 134284311) is 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene.
What is the SMILES notation for 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene?
The canonical SMILES for 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene is C[C@H](Cc1ccc(C[C@@H](C)OOC(C)(C)C)cc1)OOC(C)(C)C.
What is the InChIKey of 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene?
The InChIKey is BUKZOQKPQZSQNW-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H34O4/c1-15(21-23-19(3,4)5)13-17-9-11-18(12-10-17)14-16(2)22-24-20(6,7)8/h9-12,15-16H,13-14H2,1-8H3/t15-,16-/m1/s1.
What are the key properties of 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene?
1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene has a molecular weight of 338.49 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene is sourced from PubChem (CID 134284311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).