[(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate

C11H18O6 — CID 46894560

IUPAC[(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate
SMILESCO[C@@H]1CC[C@@H]([C@@H](COC(C)=O)OC(C)=O)O1
InChIInChI=1S/C11H18O6/c1-7(12)15-6-10(16-8(2)13)9-4-5-11(14-3)17-9/h9-11H,4-6H2,1-3H3/t9-,10+,11-/m0/s1
InChIKeyDPEBWDLWROZTEL-AXFHLTTASA-N
MW246.26 g/mol
LogP0.63
Rot. Bonds5

About [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate

[(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate (PubChem CID 46894560) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate
PubChem CID46894560
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name[(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate
SMILESCO[C@@H]1CC[C@@H]([C@@H](COC(C)=O)OC(C)=O)O1
InChIInChI=1S/C11H18O6/c1-7(12)15-6-10(16-8(2)13)9-4-5-11(14-3)17-9/h9-11H,4-6H2,1-3H3/t9-,10+,11-/m0/s1
InChIKeyDPEBWDLWROZTEL-AXFHLTTASA-N
XLogP0.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-acetyloxy-2-[(2S,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
CID 101177501
[(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
[(2S)-2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethyl] acetate
CID 15736637
[(2R)-2-acetyloxy-2-[(2S,3R,4S)-4-acetyloxy-3-methoxyoxolan-2-yl]ethyl] acetate
CID 170851439
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate
CID 11954776
[2-acetyloxy-2-(3,4-diacetyloxy-5-hydroxyoxolan-2-yl)ethyl] acetate
CID 85216119
[(2R)-2-acetyloxy-2-[(2R,3S,4R,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]ethyl] acetate
CID 23235835
[(2R)-2-acetyloxy-2-[(2R,3S,4R,5Z)-3,4-diacetyloxy-5-(bromomethylidene)oxolan-2-yl]ethyl] acetate
CID 101202873
[2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate
CID 538653
[(2R)-2-[(2R,3S,4S,5R)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]-2-methoxyethyl] acetate
CID 22214456
[2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate
CID 554589

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate (CID 46894560) is [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate is CO[C@@H]1CC[C@@H]([C@@H](COC(C)=O)OC(C)=O)O1.
What is the InChIKey of [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate?
The InChIKey is DPEBWDLWROZTEL-AXFHLTTASA-N. The full InChI is InChI=1S/C11H18O6/c1-7(12)15-6-10(16-8(2)13)9-4-5-11(14-3)17-9/h9-11H,4-6H2,1-3H3/t9-,10+,11-/m0/s1.
What are the key properties of [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate?
[(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate has a molecular weight of 246.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-[(2S,5S)-5-methoxyoxolan-2-yl]ethyl] acetate is sourced from PubChem (CID 46894560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).