ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate

C11H18O4 — CID 45094352

IUPACethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](C)C[C@@H](OCC)O1
InChIInChI=1S/C11H18O4/c1-4-13-10-7-8(3)6-9(15-10)11(12)14-5-2/h6,8,10H,4-5,7H2,1-3H3/t8-,10-/m0/s1
InChIKeyLNTMRSUYMBECMM-WPRPVWTQSA-N
MW214.26 g/mol
LogP1.85
Rot. Bonds4

About ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate

ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 45094352) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID45094352
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](C)C[C@@H](OCC)O1
InChIInChI=1S/C11H18O4/c1-4-13-10-7-8(3)6-9(15-10)11(12)14-5-2/h6,8,10H,4-5,7H2,1-3H3/t8-,10-/m0/s1
InChIKeyLNTMRSUYMBECMM-WPRPVWTQSA-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

[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53249073
ethyl (Z)-2-acetyloxy-4-methylpent-2-enoate
CID 21632750
Furo[2,3-b]furan-2-carboxylic acid, 3a,4,5,6a-tetrahydro-, ethyl ester
CID 342659
ethyl (E)-2-acetyloxy-4-methylpent-2-enoate
CID 10954570
Ethyl 2-acetyloxy-4-methylpent-2-enoate
CID 53868304
(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
ethyl 2,2-dimethoxy-3-methyl-3H-furan-5-carboxylate
CID 13153939
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 (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 45094352) is ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate is CCOC(=O)C1=C[C@H](C)C[C@@H](OCC)O1.
What is the InChIKey of ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is LNTMRSUYMBECMM-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-13-10-7-8(3)6-9(15-10)11(12)14-5-2/h6,8,10H,4-5,7H2,1-3H3/t8-,10-/m0/s1.
What are the key properties of ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate?
ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-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 ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 45094352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).