ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate

C14H24O5 — CID 102249403

IUPACethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CC[C@H](CCC(=O)OCC)O1
InChIInChI=1S/C14H24O5/c1-3-17-13(15)9-7-11-5-6-12(19-11)8-10-14(16)18-4-2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyRBEXYSCAIVIWFD-TXEJJXNPSA-N
MW272.34 g/mol
LogP2.22
Rot. Bonds8

About ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate

ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate (PubChem CID 102249403) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate
PubChem CID102249403
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CC[C@H](CCC(=O)OCC)O1
InChIInChI=1S/C14H24O5/c1-3-17-13(15)9-7-11-5-6-12(19-11)8-10-14(16)18-4-2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyRBEXYSCAIVIWFD-TXEJJXNPSA-N
XLogP2.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate?
The IUPAC name of ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate (CID 102249403) is ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate?
The canonical SMILES for ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate is CCOC(=O)CC[C@@H]1CC[C@H](CCC(=O)OCC)O1.
What is the InChIKey of ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate?
The InChIKey is RBEXYSCAIVIWFD-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H24O5/c1-3-17-13(15)9-7-11-5-6-12(19-11)8-10-14(16)18-4-2/h11-12H,3-10H2,1-2H3/t11-,12+.
What are the key properties of ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate?
ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate has a molecular weight of 272.34 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2S,5R)-5-(3-ethoxy-3-oxopropyl)oxolan-2-yl]propanoate is sourced from PubChem (CID 102249403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).