[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate

C15H22O7 — CID 16758931

IUPAC[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
SMILESC=CCC1C=CC(OC(=O)OCC)C(COC(=O)OCC)O1
InChIInChI=1S/C15H22O7/c1-4-7-11-8-9-12(22-15(17)19-6-3)13(21-11)10-20-14(16)18-5-2/h4,8-9,11-13H,1,5-7,10H2,2-3H3
InChIKeyZUBOXJYNMWKZQR-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.60
Rot. Bonds7

About [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate

[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate (PubChem CID 16758931) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
PubChem CID16758931
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
SMILESC=CCC1C=CC(OC(=O)OCC)C(COC(=O)OCC)O1
InChIInChI=1S/C15H22O7/c1-4-7-11-8-9-12(22-15(17)19-6-3)13(21-11)10-20-14(16)18-5-2/h4,8-9,11-13H,1,5-7,10H2,2-3H3
InChIKeyZUBOXJYNMWKZQR-UHFFFAOYSA-N
XLogP2.60
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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
(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
[(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
[(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
[6-(3,3-dimethylbut-1-ynyl)-3-ethoxycarbonyloxy-3,6-dihydro-2H-pyran-2-yl]methyl ethyl carbonate
CID 16758932
[2-(ethoxycarbonyloxymethyl)-6-oct-1-ynyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
CID 16758933

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate?
The IUPAC name of [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate (CID 16758931) is [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate.
What is the SMILES notation for [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate?
The canonical SMILES for [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate is C=CCC1C=CC(OC(=O)OCC)C(COC(=O)OCC)O1.
What is the InChIKey of [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate?
The InChIKey is ZUBOXJYNMWKZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O7/c1-4-7-11-8-9-12(22-15(17)19-6-3)13(21-11)10-20-14(16)18-5-2/h4,8-9,11-13H,1,5-7,10H2,2-3H3.
What are the key properties of [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate?
[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate has a molecular weight of 314.33 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate is sourced from PubChem (CID 16758931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).