(3E)-5-ethyl-3-ethylideneoxolane-2,4-dione

C8H10O3 — CID 143535181

IUPAC(3E)-5-ethyl-3-ethylideneoxolane-2,4-dione
SMILESC/C=C1/C(=O)OC(CC)C1=O
InChIInChI=1S/C8H10O3/c1-3-5-7(9)6(4-2)11-8(5)10/h3,6H,4H2,1-2H3/b5-3+
InChIKeyYPNOWTSBMTXGCV-HWKANZROSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds1

About (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione

(3E)-5-ethyl-3-ethylideneoxolane-2,4-dione (PubChem CID 143535181) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione.

Molecular Properties

Compound Name(3E)-5-ethyl-3-ethylideneoxolane-2,4-dione
PubChem CID143535181
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(3E)-5-ethyl-3-ethylideneoxolane-2,4-dione
SMILESC/C=C1/C(=O)OC(CC)C1=O
InChIInChI=1S/C8H10O3/c1-3-5-7(9)6(4-2)11-8(5)10/h3,6H,4H2,1-2H3/b5-3+
InChIKeyYPNOWTSBMTXGCV-HWKANZROSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione?
The IUPAC name of (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione (CID 143535181) is (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione.
What is the SMILES notation for (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione?
The canonical SMILES for (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione is C/C=C1/C(=O)OC(CC)C1=O.
What is the InChIKey of (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione?
The InChIKey is YPNOWTSBMTXGCV-HWKANZROSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-5-7(9)6(4-2)11-8(5)10/h3,6H,4H2,1-2H3/b5-3+.
What are the key properties of (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione?
(3E)-5-ethyl-3-ethylideneoxolane-2,4-dione has a molecular weight of 154.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-ethyl-3-ethylideneoxolane-2,4-dione is sourced from PubChem (CID 143535181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).