2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid

C10H18O5 — CID 126746926

IUPAC2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid
SMILESCC(C)(O)CC(C)(C)C(=O)OCC(=O)O
InChIInChI=1S/C10H18O5/c1-9(2,6-10(3,4)14)8(13)15-5-7(11)12/h14H,5-6H2,1-4H3,(H,11,12)
InChIKeyLLFRXABHOFUJLZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.80
Rot. Bonds5

About 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid

2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid (PubChem CID 126746926) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid
PubChem CID126746926
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid
SMILESCC(C)(O)CC(C)(C)C(=O)OCC(=O)O
InChIInChI=1S/C10H18O5/c1-9(2,6-10(3,4)14)8(13)15-5-7(11)12/h14H,5-6H2,1-4H3,(H,11,12)
InChIKeyLLFRXABHOFUJLZ-UHFFFAOYSA-N
XLogP0.80
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
2-[2-ethyl-4-(hydroxymethoxycarbonyl)-7-methoxy-2,4,6,6-tetramethyl-7-oxoheptanoyl]oxyacetic acid
CID 54366588
2-(4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl)oxyacetic acid
CID 130305216
2-hydroxyprop-2-enyl 2,2-dimethylbutanoate
CID 87159504
(4-hydroxy-2,2,4-trimethylpentyl) 2,2-dimethylpentanoate
CID 155394736
ethyl 5-chloro-2,2,4,4-tetramethyl-5-oxopentanoate
CID 134256135
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyacetic acid
CID 177186072
1-O-(4-hydroxy-2,4-dimethylpentan-2-yl) 5-O-(3-hydroxy-2,2-dimethylpropyl) 2,2,4,4-tetramethylpentanedioate
CID 167260498
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
CID 87257255
(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate
CID 10035882
ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate
CID 129205535

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid?
The IUPAC name of 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid (CID 126746926) is 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid.
What is the SMILES notation for 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid?
The canonical SMILES for 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid is CC(C)(O)CC(C)(C)C(=O)OCC(=O)O.
What is the InChIKey of 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid?
The InChIKey is LLFRXABHOFUJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-9(2,6-10(3,4)14)8(13)15-5-7(11)12/h14H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid?
2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid has a molecular weight of 218.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2,4-trimethylpentanoyl)oxyacetic acid is sourced from PubChem (CID 126746926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).