3-(ethoxymethyl)cyclohex-2-en-1-one

C9H14O2 — CID 18920531

IUPAC3-(ethoxymethyl)cyclohex-2-en-1-one
SMILESCCOCC1=CC(=O)CCC1
InChIInChI=1S/C9H14O2/c1-2-11-7-8-4-3-5-9(10)6-8/h6H,2-5,7H2,1H3
InChIKeyFYWWSLUAIIMJBI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds3

About 3-(ethoxymethyl)cyclohex-2-en-1-one

3-(ethoxymethyl)cyclohex-2-en-1-one (PubChem CID 18920531) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(ethoxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(ethoxymethyl)cyclohex-2-en-1-one
PubChem CID18920531
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-(ethoxymethyl)cyclohex-2-en-1-one
SMILESCCOCC1=CC(=O)CCC1
InChIInChI=1S/C9H14O2/c1-2-11-7-8-4-3-5-9(10)6-8/h6H,2-5,7H2,1H3
InChIKeyFYWWSLUAIIMJBI-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(ethoxymethyl)cyclohex-2-en-1-one (CID 18920531) is 3-(ethoxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(ethoxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(ethoxymethyl)cyclohex-2-en-1-one is CCOCC1=CC(=O)CCC1.
What is the InChIKey of 3-(ethoxymethyl)cyclohex-2-en-1-one?
The InChIKey is FYWWSLUAIIMJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-7-8-4-3-5-9(10)6-8/h6H,2-5,7H2,1H3.
What are the key properties of 3-(ethoxymethyl)cyclohex-2-en-1-one?
3-(ethoxymethyl)cyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 18920531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).