(E)-1-ethoxynon-2-en-4-one

C11H20O2 — CID 10035304

IUPAC(E)-1-ethoxynon-2-en-4-one
SMILESCCCCCC(=O)/C=C/COCC
InChIInChI=1S/C11H20O2/c1-3-5-6-8-11(12)9-7-10-13-4-2/h7,9H,3-6,8,10H2,1-2H3/b9-7+
InChIKeyKQHPSFVCPCYCSU-VQHVLOKHSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds8

About (E)-1-ethoxynon-2-en-4-one

(E)-1-ethoxynon-2-en-4-one (PubChem CID 10035304) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-1-ethoxynon-2-en-4-one.

Molecular Properties

Compound Name(E)-1-ethoxynon-2-en-4-one
PubChem CID10035304
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-1-ethoxynon-2-en-4-one
SMILESCCCCCC(=O)/C=C/COCC
InChIInChI=1S/C11H20O2/c1-3-5-6-8-11(12)9-7-10-13-4-2/h7,9H,3-6,8,10H2,1-2H3/b9-7+
InChIKeyKQHPSFVCPCYCSU-VQHVLOKHSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxynon-2-en-4-one?
The IUPAC name of (E)-1-ethoxynon-2-en-4-one (CID 10035304) is (E)-1-ethoxynon-2-en-4-one.
What is the SMILES notation for (E)-1-ethoxynon-2-en-4-one?
The canonical SMILES for (E)-1-ethoxynon-2-en-4-one is CCCCCC(=O)/C=C/COCC.
What is the InChIKey of (E)-1-ethoxynon-2-en-4-one?
The InChIKey is KQHPSFVCPCYCSU-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-8-11(12)9-7-10-13-4-2/h7,9H,3-6,8,10H2,1-2H3/b9-7+.
What are the key properties of (E)-1-ethoxynon-2-en-4-one?
(E)-1-ethoxynon-2-en-4-one has a molecular weight of 184.28 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxynon-2-en-4-one is sourced from PubChem (CID 10035304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).