[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate

C7H12O4 — CID 56963742

IUPAC[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](O)CO[C@@H]1C
InChIInChI=1S/C7H12O4/c1-4-7(11-5(2)8)6(9)3-10-4/h4,6-7,9H,3H2,1-2H3/t4-,6-,7-/m1/s1
InChIKeyBWIZYBDEVLHOAA-QPPQHZFASA-N
MW160.17 g/mol
LogP-0.30
Rot. Bonds1

About [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate

[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate (PubChem CID 56963742) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate
PubChem CID56963742
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](O)CO[C@@H]1C
InChIInChI=1S/C7H12O4/c1-4-7(11-5(2)8)6(9)3-10-4/h4,6-7,9H,3H2,1-2H3/t4-,6-,7-/m1/s1
InChIKeyBWIZYBDEVLHOAA-QPPQHZFASA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dihydroxy-2-methyloxan-3-yl) acetate
CID 134971555
[(4S,5R,6S)-4,5-diacetyloxy-6-methyloxan-3-yl] acetate
CID 163908102
[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 21336534
[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
CID 102251070
[(2S,3S,4R,5R)-3-acetyloxy-2-formyl-5-hydroxyoxan-4-yl] acetate
CID 134882458
[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate
CID 101103796
[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] acetate
CID 149251667
[(2R,3R,4S,5S)-2,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl] acetate
CID 91849316
[(2R,3R,4S,5S)-4,5-dihydroxy-2-methoxyoxan-3-yl] acetate
CID 14412088
(2,4-dimethyloxan-3-yl) acetate
CID 77431814
4-(hydroxymethoxy)-5-methyloxolan-3-ol
CID 67613171
[(3R,5R,6S)-5-acetyloxy-6-methyloxan-3-yl] acetate
CID 153365049

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate?
The IUPAC name of [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate (CID 56963742) is [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate is CC(=O)O[C@H]1[C@H](O)CO[C@@H]1C.
What is the InChIKey of [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate?
The InChIKey is BWIZYBDEVLHOAA-QPPQHZFASA-N. The full InChI is InChI=1S/C7H12O4/c1-4-7(11-5(2)8)6(9)3-10-4/h4,6-7,9H,3H2,1-2H3/t4-,6-,7-/m1/s1.
What are the key properties of [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate?
[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate has a molecular weight of 160.17 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate is sourced from PubChem (CID 56963742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).