3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one

C11H18O2 — CID 91066933

IUPAC3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one
SMILESC=C1C(CC)CC(=O)CC1OCC
InChIInChI=1S/C11H18O2/c1-4-9-6-10(12)7-11(8(9)3)13-5-2/h9,11H,3-7H2,1-2H3
InChIKeyNZHFPOQLOLCCOY-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.34
Rot. Bonds3

About 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one

3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one (PubChem CID 91066933) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one.

Molecular Properties

Compound Name3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one
PubChem CID91066933
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one
SMILESC=C1C(CC)CC(=O)CC1OCC
InChIInChI=1S/C11H18O2/c1-4-9-6-10(12)7-11(8(9)3)13-5-2/h9,11H,3-7H2,1-2H3
InChIKeyNZHFPOQLOLCCOY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one?
The IUPAC name of 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one (CID 91066933) is 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one.
What is the SMILES notation for 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one?
The canonical SMILES for 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one is C=C1C(CC)CC(=O)CC1OCC.
What is the InChIKey of 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one?
The InChIKey is NZHFPOQLOLCCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-9-6-10(12)7-11(8(9)3)13-5-2/h9,11H,3-7H2,1-2H3.
What are the key properties of 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one?
3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-ethyl-4-methylidenecyclohexan-1-one is sourced from PubChem (CID 91066933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).