[(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate

C15H24O7 — CID 11109872

IUPAC[(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)[C@@]1(C)CC[C@@H]([C@@H](C)OC(C)=O)O1
InChIInChI=1S/C15H24O7/c1-9(20-11(3)17)13-6-7-15(5,22-13)14(21-12(4)18)8-19-10(2)16/h9,13-14H,6-8H2,1-5H3/t9-,13+,14+,15-/m1/s1
InChIKeyOHSUJOWUSZYYIL-JUTUQKRISA-N
MW316.35 g/mol
LogP1.37
Rot. Bonds6

About [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate

[(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate (PubChem CID 11109872) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate
PubChem CID11109872
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Name[(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)[C@@]1(C)CC[C@@H]([C@@H](C)OC(C)=O)O1
InChIInChI=1S/C15H24O7/c1-9(20-11(3)17)13-6-7-15(5,22-13)14(21-12(4)18)8-19-10(2)16/h9,13-14H,6-8H2,1-5H3/t9-,13+,14+,15-/m1/s1
InChIKeyOHSUJOWUSZYYIL-JUTUQKRISA-N
XLogP1.37
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate?
The IUPAC name of [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate (CID 11109872) is [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate is CC(=O)OC[C@H](OC(C)=O)[C@@]1(C)CC[C@@H]([C@@H](C)OC(C)=O)O1.
What is the InChIKey of [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate?
The InChIKey is OHSUJOWUSZYYIL-JUTUQKRISA-N. The full InChI is InChI=1S/C15H24O7/c1-9(20-11(3)17)13-6-7-15(5,22-13)14(21-12(4)18)8-19-10(2)16/h9,13-14H,6-8H2,1-5H3/t9-,13+,14+,15-/m1/s1.
What are the key properties of [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate?
[(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate has a molecular weight of 316.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-acetyloxy-2-[(2R,5S)-5-[(1R)-1-acetyloxyethyl]-2-methyloxolan-2-yl]ethyl] acetate is sourced from PubChem (CID 11109872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).