(2S)-4-tert-butylperoxy-4-methylpentan-2-ol

C10H22O3 — CID 124559678

IUPAC(2S)-4-tert-butylperoxy-4-methylpentan-2-ol
SMILESC[C@H](O)CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C10H22O3/c1-8(11)7-10(5,6)13-12-9(2,3)4/h8,11H,7H2,1-6H3/t8-/m0/s1
InChIKeyJNSWFNBIZLIBPH-QMMMGPOBSA-N
MW190.28 g/mol
LogP2.28
Rot. Bonds4

About (2S)-4-tert-butylperoxy-4-methylpentan-2-ol

(2S)-4-tert-butylperoxy-4-methylpentan-2-ol (PubChem CID 124559678) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is (2S)-4-tert-butylperoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2S)-4-tert-butylperoxy-4-methylpentan-2-ol
PubChem CID124559678
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name(2S)-4-tert-butylperoxy-4-methylpentan-2-ol
SMILESC[C@H](O)CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C10H22O3/c1-8(11)7-10(5,6)13-12-9(2,3)4/h8,11H,7H2,1-6H3/t8-/m0/s1
InChIKeyJNSWFNBIZLIBPH-QMMMGPOBSA-N
XLogP2.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-4-tert-butylperoxy-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

4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol
CID 139945230
2-tert-butylperoxy-4-hydroperoxy-2-methylpentane
CID 173445434
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
2-tert-butylperoxy-2-methylpropan-1-ol
CID 14069529
(4-tert-butylperoxy-4-methylpentan-2-yl) N,N-dimethylcarbamate
CID 23346607
(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
2,5-bis(tert-butylperoxy)-2,5,7-trimethyloctane
CID 175767272
2-methylpentane-2,4-diol
CID 7870

Frequently Asked Questions

What is the IUPAC name of (2S)-4-tert-butylperoxy-4-methylpentan-2-ol?
The IUPAC name of (2S)-4-tert-butylperoxy-4-methylpentan-2-ol (CID 124559678) is (2S)-4-tert-butylperoxy-4-methylpentan-2-ol.
What is the SMILES notation for (2S)-4-tert-butylperoxy-4-methylpentan-2-ol?
The canonical SMILES for (2S)-4-tert-butylperoxy-4-methylpentan-2-ol is C[C@H](O)CC(C)(C)OOC(C)(C)C.
What is the InChIKey of (2S)-4-tert-butylperoxy-4-methylpentan-2-ol?
The InChIKey is JNSWFNBIZLIBPH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22O3/c1-8(11)7-10(5,6)13-12-9(2,3)4/h8,11H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of (2S)-4-tert-butylperoxy-4-methylpentan-2-ol?
(2S)-4-tert-butylperoxy-4-methylpentan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-tert-butylperoxy-4-methylpentan-2-ol is sourced from PubChem (CID 124559678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).