(5E)-5-ethylideneoxolan-2-one

C6H8O2 — CID 6427098

IUPAC(5E)-5-ethylideneoxolan-2-one
SMILESC/C=C1\CCC(=O)O1
InChIInChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h2H,3-4H2,1H3/b5-2+
InChIKeyCBRZDGMGLYOALR-GORDUTHDSA-N
MW112.13 g/mol
LogP1.23
Rot. Bonds

About (5E)-5-ethylideneoxolan-2-one

(5E)-5-ethylideneoxolan-2-one (PubChem CID 6427098) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (5E)-5-ethylideneoxolan-2-one.

Molecular Properties

Compound Name(5E)-5-ethylideneoxolan-2-one
PubChem CID6427098
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(5E)-5-ethylideneoxolan-2-one
SMILESC/C=C1\CCC(=O)O1
InChIInChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h2H,3-4H2,1H3/b5-2+
InChIKeyCBRZDGMGLYOALR-GORDUTHDSA-N
XLogP1.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylideneoxolan-2-one?
The IUPAC name of (5E)-5-ethylideneoxolan-2-one (CID 6427098) is (5E)-5-ethylideneoxolan-2-one.
What is the SMILES notation for (5E)-5-ethylideneoxolan-2-one?
The canonical SMILES for (5E)-5-ethylideneoxolan-2-one is C/C=C1\CCC(=O)O1.
What is the InChIKey of (5E)-5-ethylideneoxolan-2-one?
The InChIKey is CBRZDGMGLYOALR-GORDUTHDSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h2H,3-4H2,1H3/b5-2+.
What are the key properties of (5E)-5-ethylideneoxolan-2-one?
(5E)-5-ethylideneoxolan-2-one has a molecular weight of 112.13 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylideneoxolan-2-one is sourced from PubChem (CID 6427098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).