(2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate

C7H12O6 — CID 58519918

IUPAC(2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate
SMILESCC(=O)OC(CO)COC(=O)CO
InChIInChI=1S/C7H12O6/c1-5(10)13-6(2-8)4-12-7(11)3-9/h6,8-9H,2-4H2,1H3
InChIKeySTZZEYVZMVERQE-UHFFFAOYSA-N
MW192.17 g/mol
LogP-1.55
Rot. Bonds5

About (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate

(2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate (PubChem CID 58519918) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate
PubChem CID58519918
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name(2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate
SMILESCC(=O)OC(CO)COC(=O)CO
InChIInChI=1S/C7H12O6/c1-5(10)13-6(2-8)4-12-7(11)3-9/h6,8-9H,2-4H2,1H3
InChIKeySTZZEYVZMVERQE-UHFFFAOYSA-N
XLogP-1.55
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate 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

[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
CID 130694563
(2-acetyloxy-3-hydroxypropyl) acetate;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 87468403
[3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate
CID 87103100
[(2R)-2-acetyloxy-3-hydroxypropyl] (Z)-octadec-9-enoate
CID 24741444
2,3-diacetyloxypropyl 2-hydroperoxyacetate
CID 88932780
[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168
[(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate
CID 102240504
(1-acetyloxy-3-hydroxypropan-2-yl) 3,7-diacetyloxyoctadecanoate
CID 162881509
(1-acetyloxy-3-hydroxypropan-2-yl) dodecanoate
CID 14451250
(1-acetyloxy-3-hydroxypropan-2-yl) henicosanoate
CID 138248511
(1-acetyloxy-3-hydroxypropan-2-yl) docosanoate
CID 138137930

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate?
The IUPAC name of (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate (CID 58519918) is (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate.
What is the SMILES notation for (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate?
The canonical SMILES for (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate is CC(=O)OC(CO)COC(=O)CO.
What is the InChIKey of (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate?
The InChIKey is STZZEYVZMVERQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c1-5(10)13-6(2-8)4-12-7(11)3-9/h6,8-9H,2-4H2,1H3.
What are the key properties of (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate?
(2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate has a molecular weight of 192.17 g/mol, XLogP of -1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate is sourced from PubChem (CID 58519918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).