4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol

C15H32O6 — CID 139945230

IUPAC4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)OOC(C)(C)OOC(C)(C)CC(C)O
InChIInChI=1S/C15H32O6/c1-11(16)9-13(3,4)18-20-15(7,8)21-19-14(5,6)10-12(2)17/h11-12,16-17H,9-10H2,1-8H3
InChIKeyAUNVFTXNWHLOFK-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.72
Rot. Bonds10

About 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol

4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol (PubChem CID 139945230) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol
PubChem CID139945230
Molecular FormulaC15H32O6
Molecular Weight308.42 g/mol
Exact Mass308.22
IUPAC Name4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)OOC(C)(C)OOC(C)(C)CC(C)O
InChIInChI=1S/C15H32O6/c1-11(16)9-13(3,4)18-20-15(7,8)21-19-14(5,6)10-12(2)17/h11-12,16-17H,9-10H2,1-8H3
InChIKeyAUNVFTXNWHLOFK-UHFFFAOYSA-N
XLogP2.72
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-tert-butylperoxy-4-methylpentan-2-ol
CID 124559678
4-methyl-4-(2-methylheptan-2-ylperoxy)pentan-2-ol
CID 87824096
(4-hydroxy-2-methylpentan-2-yl) 2,2-dimethylpropaneperoxoate
CID 54143217
bis[(4-hydroxy-2-methylpentan-2-yl)oxy]borinic acid
CID 174050158
ethoxyethane;2-methylpentane-2,4-diol
CID 19391902
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
2-hydroxyethyl (4-hydroxy-2-methylpentan-2-yl)oxy carbonate
CID 19694798
1,3-dihydroxypropan-2-yl (4-hydroxy-2-methylpentan-2-yl)oxy carbonate
CID 54506055
4-methylheptane-2,4,6-triol
CID 90439710
2-methylpentane-2,4-diol
CID 7870
6-methoxy-4,4,5-trimethylhexan-2-ol
CID 64715140
2-tert-butylperoxy-4-hydroperoxy-2-methylpentane
CID 173445434

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol?
The IUPAC name of 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol (CID 139945230) is 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol.
What is the SMILES notation for 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol?
The canonical SMILES for 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol is CC(O)CC(C)(C)OOC(C)(C)OOC(C)(C)CC(C)O.
What is the InChIKey of 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol?
The InChIKey is AUNVFTXNWHLOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-11(16)9-13(3,4)18-20-15(7,8)21-19-14(5,6)10-12(2)17/h11-12,16-17H,9-10H2,1-8H3.
What are the key properties of 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol?
4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol has a molecular weight of 308.42 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol is sourced from PubChem (CID 139945230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).