(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one

C11H16O2 — CID 134933023

IUPAC(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
SMILESC/C=C1/C(=O)C(OCC)=CC1CC
InChIInChI=1S/C11H16O2/c1-4-8-7-10(13-6-3)11(12)9(8)5-2/h5,7-8H,4,6H2,1-3H3/b9-5+
InChIKeyRXTRMFFXXYXWFP-WEVVVXLNSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds3

About (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one

(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one (PubChem CID 134933023) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
PubChem CID134933023
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
SMILESC/C=C1/C(=O)C(OCC)=CC1CC
InChIInChI=1S/C11H16O2/c1-4-8-7-10(13-6-3)11(12)9(8)5-2/h5,7-8H,4,6H2,1-3H3/b9-5+
InChIKeyRXTRMFFXXYXWFP-WEVVVXLNSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one?
The IUPAC name of (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one (CID 134933023) is (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one.
What is the SMILES notation for (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one?
The canonical SMILES for (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one is C/C=C1/C(=O)C(OCC)=CC1CC.
What is the InChIKey of (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one?
The InChIKey is RXTRMFFXXYXWFP-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-8-7-10(13-6-3)11(12)9(8)5-2/h5,7-8H,4,6H2,1-3H3/b9-5+.
What are the key properties of (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one?
(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one is sourced from PubChem (CID 134933023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).