ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate

C12H20O5 — CID 172613346

IUPACethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate
SMILESCCOC(=O)C1CC(OC2CCCCO2)CO1
InChIInChI=1S/C12H20O5/c1-2-14-12(13)10-7-9(8-16-10)17-11-5-3-4-6-15-11/h9-11H,2-8H2,1H3
InChIKeyQEPDPXSXJITXPU-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.25
Rot. Bonds4

About ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate

ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate (PubChem CID 172613346) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate
PubChem CID172613346
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate
SMILESCCOC(=O)C1CC(OC2CCCCO2)CO1
InChIInChI=1S/C12H20O5/c1-2-14-12(13)10-7-9(8-16-10)17-11-5-3-4-6-15-11/h9-11H,2-8H2,1H3
InChIKeyQEPDPXSXJITXPU-UHFFFAOYSA-N
XLogP1.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate?
The IUPAC name of ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate (CID 172613346) is ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate.
What is the SMILES notation for ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate?
The canonical SMILES for ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate is CCOC(=O)C1CC(OC2CCCCO2)CO1.
What is the InChIKey of ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate?
The InChIKey is QEPDPXSXJITXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-2-14-12(13)10-7-9(8-16-10)17-11-5-3-4-6-15-11/h9-11H,2-8H2,1H3.
What are the key properties of ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate?
ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(oxan-2-yloxy)oxolane-2-carboxylate is sourced from PubChem (CID 172613346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).