ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate

C11H16O6 — CID 11288010

IUPACethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate
SMILESCCOC(=O)c1cc([C@H](O)[C@H](O)CO)oc1C
InChIInChI=1S/C11H16O6/c1-3-16-11(15)7-4-9(17-6(7)2)10(14)8(13)5-12/h4,8,10,12-14H,3,5H2,1-2H3/t8-,10-/m1/s1
InChIKeyVLHYRLRNPQJOLM-PSASIEDQSA-N
MW244.24 g/mol
LogP0.15
Rot. Bonds5

About ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate

ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate (PubChem CID 11288010) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate
PubChem CID11288010
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate
SMILESCCOC(=O)c1cc([C@H](O)[C@H](O)CO)oc1C
InChIInChI=1S/C11H16O6/c1-3-16-11(15)7-4-9(17-6(7)2)10(14)8(13)5-12/h4,8,10,12-14H,3,5H2,1-2H3/t8-,10-/m1/s1
InChIKeyVLHYRLRNPQJOLM-PSASIEDQSA-N
XLogP0.15
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-methylfuran-3-carboxylate
CID 100985601
ethyl 5-[(1S)-1-hydroperoxyethyl]-2-methylfuran-3-carboxylate
CID 10943835
phenacyl 2-methyl-5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]furan-3-carboxylate
CID 25398398
2-methyl-5-[(1R,2R,3R)-1,2,3,4-tetrahydroxybutyl]furan-3-carboxylic acid
CID 7129352
ethyl 5-[(2S,3R)-3-[(1R)-1,2-dihydroxyethyl]oxiran-2-yl]-2-methylfuran-3-carboxylate
CID 134856562
ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate
CID 150221681
2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid
CID 12789057
ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate
CID 121223435
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 5-[1-(2-chloro-4-fluoroanilino)-2-ethoxy-2-oxoethyl]-2-methylfuran-3-carboxylate
CID 10199999
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
3-methylbutyl 2,5-dimethylfuran-3-carboxylate
CID 78832539

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate (CID 11288010) is ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate is CCOC(=O)c1cc([C@H](O)[C@H](O)CO)oc1C.
What is the InChIKey of ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate?
The InChIKey is VLHYRLRNPQJOLM-PSASIEDQSA-N. The full InChI is InChI=1S/C11H16O6/c1-3-16-11(15)7-4-9(17-6(7)2)10(14)8(13)5-12/h4,8,10,12-14H,3,5H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate?
ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate has a molecular weight of 244.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate is sourced from PubChem (CID 11288010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).