4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol

C13H23NO4 — CID 129195852

IUPAC4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol
SMILESCOCCNCCOCCOC1=CCC(O)C=C1
InChIInChI=1S/C13H23NO4/c1-16-8-6-14-7-9-17-10-11-18-13-4-2-12(15)3-5-13/h2,4-5,12,14-15H,3,6-11H2,1H3
InChIKeyCUNLMOBVHULNIX-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.46
Rot. Bonds10

About 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol

4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol (PubChem CID 129195852) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol
PubChem CID129195852
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol
SMILESCOCCNCCOCCOC1=CCC(O)C=C1
InChIInChI=1S/C13H23NO4/c1-16-8-6-14-7-9-17-10-11-18-13-4-2-12(15)3-5-13/h2,4-5,12,14-15H,3,6-11H2,1H3
InChIKeyCUNLMOBVHULNIX-UHFFFAOYSA-N
XLogP0.46
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol (CID 129195852) is 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol is COCCNCCOCCOC1=CCC(O)C=C1.
What is the InChIKey of 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol?
The InChIKey is CUNLMOBVHULNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-16-8-6-14-7-9-17-10-11-18-13-4-2-12(15)3-5-13/h2,4-5,12,14-15H,3,6-11H2,1H3.
What are the key properties of 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol?
4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol has a molecular weight of 257.33 g/mol, XLogP of 0.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 129195852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).