methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate

C11H18O4 — CID 23258005

IUPACmethyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCO[C@H]1C[C@H](CC)C(C(=O)OC)=CO1
InChIInChI=1S/C11H18O4/c1-4-8-6-10(14-5-2)15-7-9(8)11(12)13-3/h7-8,10H,4-6H2,1-3H3/t8-,10+/m0/s1
InChIKeySSNUQPDJTBAZCE-WCBMZHEXSA-N
MW214.26 g/mol
LogP1.85
Rot. Bonds4

About methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate

methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 23258005) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID23258005
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCO[C@H]1C[C@H](CC)C(C(=O)OC)=CO1
InChIInChI=1S/C11H18O4/c1-4-8-6-10(14-5-2)15-7-9(8)11(12)13-3/h7-8,10H,4-6H2,1-3H3/t8-,10+/m0/s1
InChIKeySSNUQPDJTBAZCE-WCBMZHEXSA-N
XLogP1.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1S,3R,4aS,8aS)-3-ethoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
CID 102594480
methyl (1R,4aS,8S,8aS)-3-ethoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
CID 102004657
methyl 2-acetyl-6-ethoxy-5,6-dihydrooxazine-4-carboxylate
CID 11183794
1-(2-ethoxy-3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone
CID 15537474
methyl (3aR,7aR)-7-hydroxy-2-(2-hydroxyethyl)-3,3a,7,7a-tetrahydro-2H-furo[2,3-c]pyran-4-carboxylate
CID 142950991
methyl 2-ethoxy-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 57332140
methyl 2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylate
CID 10398480
methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-1,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CID 59131262
methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7,7a-dimethyl-4a,5,6,7-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
CID 171363676
methyl (4aS,8aS)-3-methoxy-1-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
CID 154790908
methyl (7S,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate
CID 134715197
methyl (1R,2R,4S,6S,10S)-10-carbamoyloxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
CID 56988668

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate (CID 23258005) is methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate is CCO[C@H]1C[C@H](CC)C(C(=O)OC)=CO1.
What is the InChIKey of methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is SSNUQPDJTBAZCE-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-8-6-10(14-5-2)15-7-9(8)11(12)13-3/h7-8,10H,4-6H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate?
methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-2-ethoxy-4-ethyl-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 23258005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).