ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate

C10H16O4 — CID 557312

IUPACethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)C1CC=CC(OCC)O1
InChIInChI=1S/C10H16O4/c1-3-12-9-7-5-6-8(14-9)10(11)13-4-2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMIDREBZVVLEFIH-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds4

About ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate

ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 557312) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID557312
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)C1CC=CC(OCC)O1
InChIInChI=1S/C10H16O4/c1-3-12-9-7-5-6-8(14-9)10(11)13-4-2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMIDREBZVVLEFIH-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,5-dihydro-2,5-dimethoxy-2-furancarboxylate
CID 2723832
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
[(2S,6R)-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 11402978
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53249073
[(2S,6R)-2-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305266
[(2S,6R)-2-isobutoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305267
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305268
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305412
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305415
[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
CID 53323131

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate (CID 557312) is ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)C1CC=CC(OCC)O1.
What is the InChIKey of ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is MIDREBZVVLEFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-12-9-7-5-6-8(14-9)10(11)13-4-2/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 557312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).