2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one

C11H18O2 — CID 13066136

IUPAC2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one
SMILESCCOCCC1=C(C)CCCC1=O
InChIInChI=1S/C11H18O2/c1-3-13-8-7-10-9(2)5-4-6-11(10)12/h3-8H2,1-2H3
InChIKeyUQWGDGPJWCXLLB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one

2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one (PubChem CID 13066136) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one
PubChem CID13066136
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one
SMILESCCOCCC1=C(C)CCCC1=O
InChIInChI=1S/C11H18O2/c1-3-13-8-7-10-9(2)5-4-6-11(10)12/h3-8H2,1-2H3
InChIKeyUQWGDGPJWCXLLB-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one?
The IUPAC name of 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one (CID 13066136) is 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one?
The canonical SMILES for 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one is CCOCCC1=C(C)CCCC1=O.
What is the InChIKey of 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one?
The InChIKey is UQWGDGPJWCXLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-13-8-7-10-9(2)5-4-6-11(10)12/h3-8H2,1-2H3.
What are the key properties of 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one?
2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 13066136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).