[2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate

C17H26O10 — CID 538653

IUPAC[2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate
SMILESCCCOC1OC(C(COC(C)=O)OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C17H26O10/c1-6-7-22-17-16(26-12(5)21)15(25-11(4)20)14(27-17)13(24-10(3)19)8-23-9(2)18/h13-17H,6-8H2,1-5H3
InChIKeyHPBOGNWLMBURKN-UHFFFAOYSA-N
MW390.39 g/mol
LogP0.50
Rot. Bonds9

About [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate

[2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate (PubChem CID 538653) has the molecular formula C17H26O10 and a molecular weight of 390.39 g/mol. Its IUPAC name is [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate
PubChem CID538653
Molecular FormulaC17H26O10
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name[2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate
SMILESCCCOC1OC(C(COC(C)=O)OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C17H26O10/c1-6-7-22-17-16(26-12(5)21)15(25-11(4)20)14(27-17)13(24-10(3)19)8-23-9(2)18/h13-17H,6-8H2,1-5H3
InChIKeyHPBOGNWLMBURKN-UHFFFAOYSA-N
XLogP0.50
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate
CID 11954776
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
CID 22212978
[(2S)-2-acetyloxy-2-[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]ethyl] acetate
CID 14216846
[2-acetyloxy-2-(3,4-diacetyloxy-5-phenylmethoxyoxolan-2-yl)ethyl] acetate
CID 560999
[(2R)-2-acetyloxy-2-[(2S,3S,4R,5S)-3,4-diacetyloxy-5-phenylmethoxyoxolan-2-yl]ethyl] acetate
CID 23240591
[(2R)-2-acetyloxy-2-[(2R,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]ethyl] acetate
CID 23235835
[2-acetyloxy-2-(3,4-diacetyloxy-5-hydroxyoxolan-2-yl)ethyl] acetate
CID 85216119
[2-acetyloxy-2-[3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]ethyl] acetate
CID 72769024
[(2S,3R,4R,5R)-5-acetyloxy-6-[(2S,3S,4S,5S,6R)-5-acetyloxy-6-[(1R)-1-acetyloxy-2-methoxyethyl]-3,4-dimethoxyoxan-2-yl]oxy-2,3,4-trimethoxyhexyl] acetate
CID 22215496
[2-fluoro-2-[(2S,3S,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]ethyl] acetate
CID 155091138
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4-diacetyloxy-5-(dihexylsulfamoyl)oxolan-2-yl]ethyl] acetate
CID 90916948
[(2R)-2-[(2R,3S,4S,5R)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]-2-methoxyethyl] acetate
CID 22214456

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate?
The IUPAC name of [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate (CID 538653) is [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate.
What is the SMILES notation for [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate?
The canonical SMILES for [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate is CCCOC1OC(C(COC(C)=O)OC(C)=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate?
The InChIKey is HPBOGNWLMBURKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O10/c1-6-7-22-17-16(26-12(5)21)15(25-11(4)20)14(27-17)13(24-10(3)19)8-23-9(2)18/h13-17H,6-8H2,1-5H3.
What are the key properties of [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate?
[2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate has a molecular weight of 390.39 g/mol, XLogP of 0.50, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate is sourced from PubChem (CID 538653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).