3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one

C11H18O2 — CID 11217620

IUPAC3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(C)C(C)(C)C1
InChIInChI=1S/C11H18O2/c1-5-13-9-6-10(12)8(2)11(3,4)7-9/h6,8H,5,7H2,1-4H3
InChIKeyZPAUWSOFUGCSTD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds2

About 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one

3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one (PubChem CID 11217620) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one
PubChem CID11217620
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(C)C(C)(C)C1
InChIInChI=1S/C11H18O2/c1-5-13-9-6-10(12)8(2)11(3,4)7-9/h6,8H,5,7H2,1-4H3
InChIKeyZPAUWSOFUGCSTD-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one?
The IUPAC name of 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one (CID 11217620) is 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one is CCOC1=CC(=O)C(C)C(C)(C)C1.
What is the InChIKey of 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one?
The InChIKey is ZPAUWSOFUGCSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-13-9-6-10(12)8(2)11(3,4)7-9/h6,8H,5,7H2,1-4H3.
What are the key properties of 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one?
3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5,5,6-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 11217620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).