2-(2-methylbut-3-yn-2-ylperoxy)ethanol

C7H12O3 — CID 165349923

IUPAC2-(2-methylbut-3-yn-2-ylperoxy)ethanol
SMILESC#CC(C)(C)OOCCO
InChIInChI=1S/C7H12O3/c1-4-7(2,3)10-9-6-5-8/h1,8H,5-6H2,2-3H3
InChIKeyYROQHJUFVKSMEI-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.34
Rot. Bonds4

About 2-(2-methylbut-3-yn-2-ylperoxy)ethanol

2-(2-methylbut-3-yn-2-ylperoxy)ethanol (PubChem CID 165349923) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(2-methylbut-3-yn-2-ylperoxy)ethanol.

Molecular Properties

Compound Name2-(2-methylbut-3-yn-2-ylperoxy)ethanol
PubChem CID165349923
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(2-methylbut-3-yn-2-ylperoxy)ethanol
SMILESC#CC(C)(C)OOCCO
InChIInChI=1S/C7H12O3/c1-4-7(2,3)10-9-6-5-8/h1,8H,5-6H2,2-3H3
InChIKeyYROQHJUFVKSMEI-UHFFFAOYSA-N
XLogP0.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2-(2-hydroxyethylperoxy)ethanol;methoxymethane
CID 174905336
2-(2-phenylpropan-2-ylperoxy)ethanol
CID 13111058
3-(2-iodoethoxy)-3-methylbut-1-yne
CID 102386751
2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
CID 97289363
sodium;hydride;2-(2-hydroxyethylperoxy)ethanol
CID 174491378
3-methyl-3-prop-2-ynoxybut-1-yne
CID 12813397
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
3-(2-methylbut-3-yn-2-yloxy)propane-1-sulfonic acid
CID 175801605
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19871026
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-yn-2-ylperoxy)ethanol?
The IUPAC name of 2-(2-methylbut-3-yn-2-ylperoxy)ethanol (CID 165349923) is 2-(2-methylbut-3-yn-2-ylperoxy)ethanol.
What is the SMILES notation for 2-(2-methylbut-3-yn-2-ylperoxy)ethanol?
The canonical SMILES for 2-(2-methylbut-3-yn-2-ylperoxy)ethanol is C#CC(C)(C)OOCCO.
What is the InChIKey of 2-(2-methylbut-3-yn-2-ylperoxy)ethanol?
The InChIKey is YROQHJUFVKSMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-7(2,3)10-9-6-5-8/h1,8H,5-6H2,2-3H3.
What are the key properties of 2-(2-methylbut-3-yn-2-ylperoxy)ethanol?
2-(2-methylbut-3-yn-2-ylperoxy)ethanol has a molecular weight of 144.17 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-yn-2-ylperoxy)ethanol is sourced from PubChem (CID 165349923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).