[(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C15H21O6+ — CID 134843380

IUPAC[(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC2C[CH+]CC2)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C15H21O6/c1-10(16)18-9-14-13(19-11(2)17)7-8-15(21-14)20-12-5-3-4-6-12/h3,7-8,12-15H,4-6,9H2,1-2H3/q+1/t12?,13-,14+,15-/m0/s1
InChIKeyMUNROSSJWXZGOP-DKUMPPAJSA-N
MW297.33 g/mol
LogP1.54
Rot. Bonds5

About [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 134843380) has the molecular formula C15H21O6+ and a molecular weight of 297.33 g/mol. Its IUPAC name is [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID134843380
Molecular FormulaC15H21O6+
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name[(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC2C[CH+]CC2)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C15H21O6/c1-10(16)18-9-14-13(19-11(2)17)7-8-15(21-14)20-12-5-3-4-6-12/h3,7-8,12-15H,4-6,9H2,1-2H3/q+1/t12?,13-,14+,15-/m0/s1
InChIKeyMUNROSSJWXZGOP-DKUMPPAJSA-N
XLogP1.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside
CID 11821262
2H-Pyran-2-methanol, 3-(acetyloxy)-6-ethoxy-3,6-dihydro-, acetate
CID 349896
[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
CID 16758931
(3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388309
alpha-D-erythro-Hex-2-enopyranose, 3-deoxy-, tetraacetate
CID 566840
[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
CID 53323131
beta-D-Erythro-Hex-2-enopyranoside, methyl 2,3-dideoxy-, diacetate
CID 567640
[(2R,3S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897405
((2R,3S)-3-Acetoxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 101013575
[(2R,3S,6R)-2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
CID 9548537
(3-acetoxy-6-undec-10-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388310
beta-D-erythro-Hex-2-enopyranose, 3-deoxy-, 1,2,4,6-tetraacetate
CID 102060350

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 134843380) is [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](OC2C[CH+]CC2)C=C[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is MUNROSSJWXZGOP-DKUMPPAJSA-N. The full InChI is InChI=1S/C15H21O6/c1-10(16)18-9-14-13(19-11(2)17)7-8-15(21-14)20-12-5-3-4-6-12/h3,7-8,12-15H,4-6,9H2,1-2H3/q+1/t12?,13-,14+,15-/m0/s1.
What are the key properties of [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 297.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-acetyloxy-6-cyclopentyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 134843380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).