[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate

C11H16O7 — CID 121297431

IUPAC[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(OC(C)=O)CC1OC(C)=O
InChIInChI=1S/C11H16O7/c1-6(12)15-5-10-9(16-7(2)13)4-11(18-10)17-8(3)14/h9-11H,4-5H2,1-3H3/t9?,10-,11?/m1/s1
InChIKeyQAGMBTAACMQRSS-HSOILSAZSA-N
MW260.24 g/mol
LogP0.16
Rot. Bonds4

About [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate

[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate (PubChem CID 121297431) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
PubChem CID121297431
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(OC(C)=O)CC1OC(C)=O
InChIInChI=1S/C11H16O7/c1-6(12)15-5-10-9(16-7(2)13)4-11(18-10)17-8(3)14/h9-11H,4-5H2,1-3H3/t9?,10-,11?/m1/s1
InChIKeyQAGMBTAACMQRSS-HSOILSAZSA-N
XLogP0.16
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.16
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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Related Compounds

[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
[(3S,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 71090759
[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 14078932
(4,6-diacetyloxy-3-methyloxan-2-yl)methyl acetate
CID 58326005
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 11012146
[(2R,3S)-5-acetyloxy-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate
CID 44518465
[(2R,3R)-5-acetyloxy-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 71776144
[(2R,3R,5S)-3-acetyloxy-5-prop-2-enyloxolan-2-yl]methyl acetate
CID 134830825
[(2S,3S,4R,6S)-4-acetyloxy-3-ethenyl-6-methoxyoxan-2-yl]methyl acetate
CID 146660242
[(2S,3R,4S,6R)-3,6-diacetyloxy-2-(chloromethyl)oxan-4-yl] acetate
CID 118225451
[(2R,3R,5R,6R)-3-acetyloxy-6-chloro-5-nitrosooxan-2-yl]methyl acetate
CID 88815539
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate (CID 121297431) is [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(OC(C)=O)CC1OC(C)=O.
What is the InChIKey of [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate?
The InChIKey is QAGMBTAACMQRSS-HSOILSAZSA-N. The full InChI is InChI=1S/C11H16O7/c1-6(12)15-5-10-9(16-7(2)13)4-11(18-10)17-8(3)14/h9-11H,4-5H2,1-3H3/t9?,10-,11?/m1/s1.
What are the key properties of [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate?
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate has a molecular weight of 260.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 121297431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).