2-tert-butylperoxy-4-hydroperoxy-2-methylpentane

C10H22O4 — CID 173445434

IUPAC2-tert-butylperoxy-4-hydroperoxy-2-methylpentane
SMILESCC(CC(C)(C)OOC(C)(C)C)OO
InChIInChI=1S/C10H22O4/c1-8(12-11)7-10(5,6)14-13-9(2,3)4/h8,11H,7H2,1-6H3
InChIKeyXQSVECXEPFGKKI-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.78
Rot. Bonds5

About 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane

2-tert-butylperoxy-4-hydroperoxy-2-methylpentane (PubChem CID 173445434) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane.

Molecular Properties

Compound Name2-tert-butylperoxy-4-hydroperoxy-2-methylpentane
PubChem CID173445434
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name2-tert-butylperoxy-4-hydroperoxy-2-methylpentane
SMILESCC(CC(C)(C)OOC(C)(C)C)OO
InChIInChI=1S/C10H22O4/c1-8(12-11)7-10(5,6)14-13-9(2,3)4/h8,11H,7H2,1-6H3
InChIKeyXQSVECXEPFGKKI-UHFFFAOYSA-N
XLogP2.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
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

(2S)-4-tert-butylperoxy-4-methylpentan-2-ol
CID 124559678
(4-tert-butylperoxy-4-methylpentan-2-yl) N,N-dimethylcarbamate
CID 23346607
2-O-(4-tert-butylperoxy-4-methylpentan-2-yl) 1-O-prop-2-enyl oxalate
CID 54483562
2-tert-butylperoxy-2-methylpropan-1-ol
CID 14069529
2,5-bis(tert-butylperoxy)-2,5,7-trimethyloctane
CID 175767272
4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol
CID 139945230
2,7-bis(tert-butylperoxy)-2,7-dimethyloctane
CID 19866769
2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331
2,4-dihydroperoxy-2,5-dimethylhexane
CID 139758932
2,5,9-tris(tert-butylperoxy)-7-(2-tert-butylperoxypropan-2-yl)-2,5,9-trimethyldec-3-yne
CID 87450014
2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
2-tert-butylperoxy-2,5-dimethyl-5-methylperoxyhexane
CID 58986388

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane?
The IUPAC name of 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane (CID 173445434) is 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane.
What is the SMILES notation for 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane?
The canonical SMILES for 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane is CC(CC(C)(C)OOC(C)(C)C)OO.
What is the InChIKey of 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane?
The InChIKey is XQSVECXEPFGKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-8(12-11)7-10(5,6)14-13-9(2,3)4/h8,11H,7H2,1-6H3.
What are the key properties of 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane?
2-tert-butylperoxy-4-hydroperoxy-2-methylpentane has a molecular weight of 206.28 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-4-hydroperoxy-2-methylpentane is sourced from PubChem (CID 173445434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).