(2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one

C11H18O2 — CID 178188833

IUPAC(2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one
SMILESCCO/C=C1\CC(CC)CCC1=O
InChIInChI=1S/C11H18O2/c1-3-9-5-6-11(12)10(7-9)8-13-4-2/h8-9H,3-7H2,1-2H3/b10-8+
InChIKeyFFZZJDJXBHJEAK-CSKARUKUSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds3

About (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one

(2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one (PubChem CID 178188833) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one
PubChem CID178188833
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one
SMILESCCO/C=C1\CC(CC)CCC1=O
InChIInChI=1S/C11H18O2/c1-3-9-5-6-11(12)10(7-9)8-13-4-2/h8-9H,3-7H2,1-2H3/b10-8+
InChIKeyFFZZJDJXBHJEAK-CSKARUKUSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one?
The IUPAC name of (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one (CID 178188833) is (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one.
What is the SMILES notation for (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one?
The canonical SMILES for (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one is CCO/C=C1\CC(CC)CCC1=O.
What is the InChIKey of (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one?
The InChIKey is FFZZJDJXBHJEAK-CSKARUKUSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-9-5-6-11(12)10(7-9)8-13-4-2/h8-9H,3-7H2,1-2H3/b10-8+.
What are the key properties of (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one?
(2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(ethoxymethylidene)-4-ethylcyclohexan-1-one is sourced from PubChem (CID 178188833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).