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

C13H18O5 — CID 101175371

IUPAC[(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=CCC1C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C13H18O5/c1-4-5-11-6-7-12(17-10(3)15)13(18-11)8-16-9(2)14/h4,6-7,11-13H,1,5,8H2,2-3H3/t11?,12-,13-/m1/s1
InChIKeyMPRBSSKQJFGMFR-VFRRUGBOSA-N
MW254.28 g/mol
LogP1.38
Rot. Bonds5

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

[(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 101175371) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is [(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID101175371
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name[(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=CCC1C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C13H18O5/c1-4-5-11-6-7-12(17-10(3)15)13(18-11)8-16-9(2)14/h4,6-7,11-13H,1,5,8H2,2-3H3/t11?,12-,13-/m1/s1
InChIKeyMPRBSSKQJFGMFR-VFRRUGBOSA-N
XLogP1.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-2-[(Z,3R)-3-acetyloxyhept-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 10403120
cis-3,5-Diacetoxy-1-cyclopentene
CID 10192610
2-(Prop-2-enoxymethyl)-2,3-dihydropyran-6-one
CID 12213804
Pectinolide A
CID 10041041
3,4-Di-O-acetyl-L-arabinal
CID 7168229
[(2R)-2-acetyloxy-2-[(2S,3R)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]ethyl] acetate
CID 162664466
Ethyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside
CID 11821262
[(3S,5Z,8Z)-undeca-1,5,8-trien-3-yl] acetate
CID 23426432
[(3R,5Z,8Z)-undeca-1,5,8-trien-3-yl] acetate
CID 150297779
2H-Pyran-2-methanol, 3-(acetyloxy)-6-ethoxy-3,6-dihydro-, acetate
CID 349896
(3-acetyloxy-6-hex-1-ynyl-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 16758832
[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
CID 16758931

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 101175371) is [(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate is C=CCC1C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1.
What is the InChIKey of [(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is MPRBSSKQJFGMFR-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H18O5/c1-4-5-11-6-7-12(17-10(3)15)13(18-11)8-16-9(2)14/h4,6-7,11-13H,1,5,8H2,2-3H3/t11?,12-,13-/m1/s1.
What are the key properties of [(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 254.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 101175371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).