ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate

C14H24O5 — CID 11425756

IUPACethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate
SMILESCCOC(=O)C[C@@]1(C)C[C@H](C)[C@@](C)(C(=O)OCC)O1
InChIInChI=1S/C14H24O5/c1-6-17-11(15)9-13(4)8-10(3)14(5,19-13)12(16)18-7-2/h10H,6-9H2,1-5H3/t10-,13+,14-/m0/s1
InChIKeyWVUBNJQVHZJUHF-GDLCADMTSA-N
MW272.34 g/mol
LogP2.08
Rot. Bonds5

About ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate

ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate (PubChem CID 11425756) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate
PubChem CID11425756
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate
SMILESCCOC(=O)C[C@@]1(C)C[C@H](C)[C@@](C)(C(=O)OCC)O1
InChIInChI=1S/C14H24O5/c1-6-17-11(15)9-13(4)8-10(3)14(5,19-13)12(16)18-7-2/h10H,6-9H2,1-5H3/t10-,13+,14-/m0/s1
InChIKeyWVUBNJQVHZJUHF-GDLCADMTSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate?
The IUPAC name of ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate (CID 11425756) is ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate is CCOC(=O)C[C@@]1(C)C[C@H](C)[C@@](C)(C(=O)OCC)O1.
What is the InChIKey of ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate?
The InChIKey is WVUBNJQVHZJUHF-GDLCADMTSA-N. The full InChI is InChI=1S/C14H24O5/c1-6-17-11(15)9-13(4)8-10(3)14(5,19-13)12(16)18-7-2/h10H,6-9H2,1-5H3/t10-,13+,14-/m0/s1.
What are the key properties of ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate?
ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S,5R)-5-(2-ethoxy-2-oxoethyl)-2,3,5-trimethyloxolane-2-carboxylate is sourced from PubChem (CID 11425756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).