[(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C14H20O5 — CID 11311697

IUPAC[(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(C=C(C)C)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C14H20O5/c1-9(2)7-12-5-6-13(18-11(4)16)14(19-12)8-17-10(3)15/h5-7,12-14H,8H2,1-4H3/t12?,13-,14+/m0/s1
InChIKeyITAGQZDGUIUPJH-KFTPUPIBSA-N
MW268.31 g/mol
LogP1.77
Rot. Bonds4

About [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 11311697) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID11311697
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name[(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(C=C(C)C)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C14H20O5/c1-9(2)7-12-5-6-13(18-11(4)16)14(19-12)8-17-10(3)15/h5-7,12-14H,8H2,1-4H3/t12?,13-,14+/m0/s1
InChIKeyITAGQZDGUIUPJH-KFTPUPIBSA-N
XLogP1.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
[(2E,6E,9R,10E)-9-acetyloxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] acetate
CID 44584714
Phomalactone acetate
CID 10058507
[(3S,4S,5E,11E)-4-acetyloxytrideca-1,5,11-trien-7,9-diyn-3-yl] acetate
CID 10493430
[2-(3,4-Diacetyloxypent-1-enyl)-6-oxo-2,3-dihydropyran-3-yl] 2-methylbut-2-enoate
CID 162998433
[(2R,3S,6R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11807214
beta-D-Erythro-Hex-2-enopyranoside, methyl 2,3-dideoxy-, diacetate
CID 567640
cis-1,2-Diacetoxy-3,5-cyclohexadiene
CID 5325690
[(2R,3S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897405

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 11311697) is [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(C=C(C)C)C=C[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is ITAGQZDGUIUPJH-KFTPUPIBSA-N. The full InChI is InChI=1S/C14H20O5/c1-9(2)7-12-5-6-13(18-11(4)16)14(19-12)8-17-10(3)15/h5-7,12-14H,8H2,1-4H3/t12?,13-,14+/m0/s1.
What are the key properties of [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 268.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-acetyloxy-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 11311697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).