ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate

C12H20O5 — CID 101018353

IUPACethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](OCC)C[C@H](OCC)O1
InChIInChI=1S/C12H20O5/c1-4-14-9-7-10(12(13)16-6-3)17-11(8-9)15-5-2/h7,9,11H,4-6,8H2,1-3H3/t9-,11+/m0/s1
InChIKeySXQLANAZDLEWNM-GXSJLCMTSA-N
MW244.29 g/mol
LogP1.62
Rot. Bonds6

About ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate

ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 101018353) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID101018353
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](OCC)C[C@H](OCC)O1
InChIInChI=1S/C12H20O5/c1-4-14-9-7-10(12(13)16-6-3)17-11(8-9)15-5-2/h7,9,11H,4-6,8H2,1-3H3/t9-,11+/m0/s1
InChIKeySXQLANAZDLEWNM-GXSJLCMTSA-N
XLogP1.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

alpha-D-erythro-Hex-2-enopyranose, 3-deoxy-, tetraacetate
CID 566840
beta-D-erythro-Hex-2-enopyranose, 3-deoxy-, 1,2,4,6-tetraacetate
CID 102060350
4,6-Dimethoxy-2-methyl-2H-pyran-3(6H)-one
CID 20348359
Tetra-O-acetyl-3-deoxy-alpha-D-erythro-hex-2-enopyranose
CID 22215369
Methyl(methyl-4-deoxybetal-threo-hex-4-enopyranosid)uronate
CID 6421196
Glkjzhblohozcb-gxsjlcmtsa-
CID 11076991
(5-ethoxy-3,3-dimethyl-6-oxo-2H-pyran-2-yl) acetate
CID 12927645
ethyl (3aS,4S,7aR)-4-ethoxy-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-6-carboxylate
CID 400551
ethyl (4aS,5S,8aS)-5-ethoxy-4,4a,5,8a-tetrahydropyrano[2,3-d][1,3]dioxine-7-carboxylate
CID 10634928
ethyl (2R,3S,4S)-3-acetyloxy-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 10662098
Methyl 2,2,4-trimethoxy-3,4-dihydropyran-6-carboxylate
CID 14092365
Methyl 2,2,3,4-tetramethoxy-3,4-dihydropyran-6-carboxylate
CID 14092370

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate (CID 101018353) is ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate is CCOC(=O)C1=C[C@H](OCC)C[C@H](OCC)O1.
What is the InChIKey of ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is SXQLANAZDLEWNM-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H20O5/c1-4-14-9-7-10(12(13)16-6-3)17-11(8-9)15-5-2/h7,9,11H,4-6,8H2,1-3H3/t9-,11+/m0/s1.
What are the key properties of ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R)-2,4-diethoxy-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 101018353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).