ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate

C20H26O5 — CID 57338561

IUPACethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate
SMILESC=C(C)[C@@H]1C[C@@H](C(=O)OCC)[C@@H](C)O[C@H]1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H26O5/c1-6-24-20(22)17-11-16(12(2)3)18(25-13(17)4)14-7-9-15(10-8-14)19(21)23-5/h7-10,13,16-18H,2,6,11H2,1,3-5H3/t13-,16+,17-,18+/m1/s1
InChIKeyLEWDCIPMKBRLPA-RNJTYBCJSA-N
MW346.42 g/mol
LogP3.69
Rot. Bonds5

About ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate

ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate (PubChem CID 57338561) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate
PubChem CID57338561
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Nameethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate
SMILESC=C(C)[C@@H]1C[C@@H](C(=O)OCC)[C@@H](C)O[C@H]1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H26O5/c1-6-24-20(22)17-11-16(12(2)3)18(25-13(17)4)14-7-9-15(10-8-14)19(21)23-5/h7-10,13,16-18H,2,6,11H2,1,3-5H3/t13-,16+,17-,18+/m1/s1
InChIKeyLEWDCIPMKBRLPA-RNJTYBCJSA-N
XLogP3.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate?
The IUPAC name of ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate (CID 57338561) is ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate.
What is the SMILES notation for ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate?
The canonical SMILES for ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate is C=C(C)[C@@H]1C[C@@H](C(=O)OCC)[C@@H](C)O[C@H]1c1ccc(C(=O)OC)cc1.
What is the InChIKey of ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate?
The InChIKey is LEWDCIPMKBRLPA-RNJTYBCJSA-N. The full InChI is InChI=1S/C20H26O5/c1-6-24-20(22)17-11-16(12(2)3)18(25-13(17)4)14-7-9-15(10-8-14)19(21)23-5/h7-10,13,16-18H,2,6,11H2,1,3-5H3/t13-,16+,17-,18+/m1/s1.
What are the key properties of ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate?
ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate has a molecular weight of 346.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,5S,6R)-6-(4-methoxycarbonylphenyl)-2-methyl-5-prop-1-en-2-yloxane-3-carboxylate is sourced from PubChem (CID 57338561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).