3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one

C12H20O4 — CID 10922266

IUPAC3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(CCOCOC)CC1
InChIInChI=1S/C12H20O4/c1-3-16-11-5-4-10(12(13)8-11)6-7-15-9-14-2/h8,10H,3-7,9H2,1-2H3
InChIKeyKUVAOXOATZLTQZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.90
Rot. Bonds7

About 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one

3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one (PubChem CID 10922266) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one
PubChem CID10922266
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(CCOCOC)CC1
InChIInChI=1S/C12H20O4/c1-3-16-11-5-4-10(12(13)8-11)6-7-15-9-14-2/h8,10H,3-7,9H2,1-2H3
InChIKeyKUVAOXOATZLTQZ-UHFFFAOYSA-N
XLogP1.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one?
The IUPAC name of 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one (CID 10922266) is 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one is CCOC1=CC(=O)C(CCOCOC)CC1.
What is the InChIKey of 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one?
The InChIKey is KUVAOXOATZLTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-3-16-11-5-4-10(12(13)8-11)6-7-15-9-14-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one?
3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one has a molecular weight of 228.29 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 10922266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).