ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate

C17H20O3 — CID 11043911

IUPACethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H20O3/c1-3-19-17(18)16-12-11-15(20-13(16)2)10-9-14-7-5-4-6-8-14/h4-10,15H,3,11-12H2,1-2H3/b10-9+
InChIKeyVEWLNJNNWVBRTK-MDZDMXLPSA-N
MW272.34 g/mol
LogP3.72
Rot. Bonds4

About ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate

ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 11043911) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID11043911
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nameethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(C)OC(/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H20O3/c1-3-19-17(18)16-12-11-15(20-13(16)2)10-9-14-7-5-4-6-8-14/h4-10,15H,3,11-12H2,1-2H3/b10-9+
InChIKeyVEWLNJNNWVBRTK-MDZDMXLPSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-cyclopropylethenyl)benzoate
CID 66845963
ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate
CID 102293123
diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 54092539
ethyl 3-[(E)-2-phenylethenyl]-1,4-dioxane-2-carboxylate
CID 91748647
ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
CID 102469883
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
ethyl 3-phenylprop-2-enoate;7-oxabicyclo[2.2.1]hept-2-ene
CID 174846165
(2-ethoxy-6-methyl-3,4-dihydro-2H-pyran-5-yl)-phenylmethanone
CID 11043047
diethyl 6-(furan-3-yl)-2-methyl-4-[(E)-2-phenylethenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 91929477
ethyl (4S)-4-[(E)-2-phenylethenyl]-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 155552588

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate (CID 11043911) is ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate is CCOC(=O)C1=C(C)OC(/C=C/c2ccccc2)CC1.
What is the InChIKey of ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is VEWLNJNNWVBRTK-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H20O3/c1-3-19-17(18)16-12-11-15(20-13(16)2)10-9-14-7-5-4-6-8-14/h4-10,15H,3,11-12H2,1-2H3/b10-9+.
What are the key properties of ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate?
ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 11043911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).