2,2-dimethoxyethyl 2-hydroxypropanoate

C7H14O5 — CID 151767875

IUPAC2,2-dimethoxyethyl 2-hydroxypropanoate
SMILESCOC(COC(=O)C(C)O)OC
InChIInChI=1S/C7H14O5/c1-5(8)7(9)12-4-6(10-2)11-3/h5-6,8H,4H2,1-3H3
InChIKeyRRYVEHFCNKXLDM-UHFFFAOYSA-N
MW178.18 g/mol
LogP-0.47
Rot. Bonds5

About 2,2-dimethoxyethyl 2-hydroxypropanoate

2,2-dimethoxyethyl 2-hydroxypropanoate (PubChem CID 151767875) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2,2-dimethoxyethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2,2-dimethoxyethyl 2-hydroxypropanoate
PubChem CID151767875
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2,2-dimethoxyethyl 2-hydroxypropanoate
SMILESCOC(COC(=O)C(C)O)OC
InChIInChI=1S/C7H14O5/c1-5(8)7(9)12-4-6(10-2)11-3/h5-6,8H,4H2,1-3H3
InChIKeyRRYVEHFCNKXLDM-UHFFFAOYSA-N
XLogP-0.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-dimethoxyethyl 2-hydroxypropanoate 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

2,2-dimethoxyethyl 2-methylpropanoate
CID 86008683
[2-[(2R)-2-hydroxypropanoyl]oxy-3-[(2S)-2-hydroxypropanoyl]oxypropyl] (2S)-2-hydroxypropanoate
CID 76972802
bis(2,2-dimethoxyethyl) pentanedioate
CID 88691343
2,2-dimethoxyethyl 3-oxobutanoate
CID 158140754
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] 2-hydroxypropanoate
CID 54017889
(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
CID 19788816
methanol;methyl 2-hydroxypropanoate
CID 157321309
2-[2-[2-(2-hydroxypropanoyloxy)propoxy]propoxy]propyl 2-hydroxypropanoate
CID 87122386
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethyl 2-hydroxypropanoate?
The IUPAC name of 2,2-dimethoxyethyl 2-hydroxypropanoate (CID 151767875) is 2,2-dimethoxyethyl 2-hydroxypropanoate.
What is the SMILES notation for 2,2-dimethoxyethyl 2-hydroxypropanoate?
The canonical SMILES for 2,2-dimethoxyethyl 2-hydroxypropanoate is COC(COC(=O)C(C)O)OC.
What is the InChIKey of 2,2-dimethoxyethyl 2-hydroxypropanoate?
The InChIKey is RRYVEHFCNKXLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-5(8)7(9)12-4-6(10-2)11-3/h5-6,8H,4H2,1-3H3.
What are the key properties of 2,2-dimethoxyethyl 2-hydroxypropanoate?
2,2-dimethoxyethyl 2-hydroxypropanoate has a molecular weight of 178.18 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethyl 2-hydroxypropanoate is sourced from PubChem (CID 151767875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).