[2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate

C11H22O4 — CID 88961768

IUPAC[2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate
SMILESCC(=O)OCC(O)OC(C)(C)C(C)(C)C
InChIInChI=1S/C11H22O4/c1-8(12)14-7-9(13)15-11(5,6)10(2,3)4/h9,13H,7H2,1-6H3
InChIKeyQWEHBFRUAPETJS-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.71
Rot. Bonds4

About [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate

[2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate (PubChem CID 88961768) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate
PubChem CID88961768
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name[2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate
SMILESCC(=O)OCC(O)OC(C)(C)C(C)(C)C
InChIInChI=1S/C11H22O4/c1-8(12)14-7-9(13)15-11(5,6)10(2,3)4/h9,13H,7H2,1-6H3
InChIKeyQWEHBFRUAPETJS-UHFFFAOYSA-N
XLogP1.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate 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)-2,3-dihydroxy-3-methylbutyl] acetate
CID 14970641
2-hydroxypropyl acetate;mercury
CID 174858394
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
(3-fluoro-2-hydroxypropyl) acetate
CID 130125053
[2-(acetyloxymethyl)-4-hydroxy-4-methylpentyl] acetate
CID 122525309
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
2-methylpropyl acetate;hydrate
CID 86585368
copper;2,3-dihydroxypropyl acetate
CID 175414462
ethanol;2-hydroxypropyl acetate
CID 88717262
ethyl acetate;methanol;hydrate
CID 87229017
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate?
The IUPAC name of [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate (CID 88961768) is [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate.
What is the SMILES notation for [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate?
The canonical SMILES for [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate is CC(=O)OCC(O)OC(C)(C)C(C)(C)C.
What is the InChIKey of [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate?
The InChIKey is QWEHBFRUAPETJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-8(12)14-7-9(13)15-11(5,6)10(2,3)4/h9,13H,7H2,1-6H3.
What are the key properties of [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate?
[2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate has a molecular weight of 218.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] acetate is sourced from PubChem (CID 88961768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).