3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one

C12H20O2 — CID 10241790

IUPAC3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(CC(C)C)CC1
InChIInChI=1S/C12H20O2/c1-4-14-11-6-5-10(7-9(2)3)12(13)8-11/h8-10H,4-7H2,1-3H3
InChIKeyVLVZOBLLQVRDIM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds4

About 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one

3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one (PubChem CID 10241790) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
PubChem CID10241790
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(CC(C)C)CC1
InChIInChI=1S/C12H20O2/c1-4-14-11-6-5-10(7-9(2)3)12(13)8-11/h8-10H,4-7H2,1-3H3
InChIKeyVLVZOBLLQVRDIM-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one?
The IUPAC name of 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one (CID 10241790) is 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one is CCOC1=CC(=O)C(CC(C)C)CC1.
What is the InChIKey of 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one?
The InChIKey is VLVZOBLLQVRDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-14-11-6-5-10(7-9(2)3)12(13)8-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one?
3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one is sourced from PubChem (CID 10241790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).