2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid

C10H18O6 — CID 154381228

IUPAC2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid
SMILESCCCC(C)(C)OOC(=O)COCC(=O)O
InChIInChI=1S/C10H18O6/c1-4-5-10(2,3)16-15-9(13)7-14-6-8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKeyGTHANCWSXQBCAB-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.14
Rot. Bonds8

About 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid

2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid (PubChem CID 154381228) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid
PubChem CID154381228
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid
SMILESCCCC(C)(C)OOC(=O)COCC(=O)O
InChIInChI=1S/C10H18O6/c1-4-5-10(2,3)16-15-9(13)7-14-6-8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKeyGTHANCWSXQBCAB-UHFFFAOYSA-N
XLogP1.14
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(2-(Tert-butoxy)-2-oxoethoxy)acetic acid
CID 14271895
Hydroxy-PEG2-t-butyl acetate
CID 19780618
Hydroxy-PEG1-CH2CO2tBu
CID 57802514
Hydroxy-PEG3-t-butyl acetate
CID 77078248
t-butyl acetate-PEG2-CH2COOH
CID 58208532
tBuO-Ethoxyacetic acid
CID 87458900
tBuO-EEA
CID 87459019
t-Butyl acetate-PEG3-CH2COOH
CID 88121310
2-(2-(2-(tert-Butoxy)-2-oxoethoxy)ethoxy)acetic acid
CID 129892362
2,2'-[(2,3-Dimethylbutane-2,3-diyl)bis(oxy)]diacetic acid
CID 71367221
2-(3-Hydroxy-2,3-dimethylbutan-2-yl)oxyacetic acid
CID 90983707
3-t-Butylperoxy-1,3-dimethylbutyl Ethyl Oxalate
CID 11011719

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid (CID 154381228) is 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid is CCCC(C)(C)OOC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid?
The InChIKey is GTHANCWSXQBCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-4-5-10(2,3)16-15-9(13)7-14-6-8(11)12/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid?
2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 154381228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).