1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol

C15H32O5 — CID 139970447

IUPAC1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol
SMILESCCC(O)COOC(C)(CC)OOC(C)(C)C(C)(C)C
InChIInChI=1S/C15H32O5/c1-9-12(16)11-17-19-15(8,10-2)20-18-14(6,7)13(3,4)5/h12,16H,9-11H2,1-8H3
InChIKeyHTLBMXFXZNWSQB-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.60
Rot. Bonds9

About 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol

1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol (PubChem CID 139970447) has the molecular formula C15H32O5 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol
PubChem CID139970447
Molecular FormulaC15H32O5
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol
SMILESCCC(O)COOC(C)(CC)OOC(C)(C)C(C)(C)C
InChIInChI=1S/C15H32O5/c1-9-12(16)11-17-19-15(8,10-2)20-18-14(6,7)13(3,4)5/h12,16H,9-11H2,1-8H3
InChIKeyHTLBMXFXZNWSQB-UHFFFAOYSA-N
XLogP3.60
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-[2-(2,4,4-trimethylpentan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol
CID 139970467
4-methyl-1-[4-methyl-2-(2,3,3-trimethylbutan-2-ylperoxy)pentan-2-yl]peroxypentan-2-ol
CID 139970495
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol
CID 54376385
1-[2,2-bis(2-hydroxybutoxymethyl)butoxy]butan-2-ol
CID 118403092
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
1-(2-amino-2-methylpropoxy)butan-2-ol
CID 106939915
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
CID 134453133
1-(2-methylprop-2-enylperoxy)butan-2-ol
CID 59088510
methane;1-methoxybutan-2-ol
CID 161499525
2-hydroperoxy-2-(2-hydroperoxybutan-2-ylperoxy)butane;hydrochloride
CID 174811988
5,5,7,7-tetramethylnonan-3-ol
CID 91489156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol?
The IUPAC name of 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol (CID 139970447) is 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol.
What is the SMILES notation for 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol?
The canonical SMILES for 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol is CCC(O)COOC(C)(CC)OOC(C)(C)C(C)(C)C.
What is the InChIKey of 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol?
The InChIKey is HTLBMXFXZNWSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5/c1-9-12(16)11-17-19-15(8,10-2)20-18-14(6,7)13(3,4)5/h12,16H,9-11H2,1-8H3.
What are the key properties of 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol?
1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,3-trimethylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol is sourced from PubChem (CID 139970447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).