2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol

C13H25NO3 — CID 143519655

IUPAC2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESCC/C=C\C=C/COCCN(CCO)CCO
InChIInChI=1S/C13H25NO3/c1-2-3-4-5-6-12-17-13-9-14(7-10-15)8-11-16/h3-6,15-16H,2,7-13H2,1H3/b4-3-,6-5-
InChIKeyPGDXUULMGGVGPV-OUPQRBNQSA-N
MW243.35 g/mol
LogP0.81
Rot. Bonds11

About 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol

2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 143519655) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID143519655
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESCC/C=C\C=C/COCCN(CCO)CCO
InChIInChI=1S/C13H25NO3/c1-2-3-4-5-6-12-17-13-9-14(7-10-15)8-11-16/h3-6,15-16H,2,7-13H2,1H3/b4-3-,6-5-
InChIKeyPGDXUULMGGVGPV-OUPQRBNQSA-N
XLogP0.81
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol (CID 143519655) is 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol is CC/C=C\C=C/COCCN(CCO)CCO.
What is the InChIKey of 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is PGDXUULMGGVGPV-OUPQRBNQSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-3-4-5-6-12-17-13-9-14(7-10-15)8-11-16/h3-6,15-16H,2,7-13H2,1H3/b4-3-,6-5-.
What are the key properties of 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 243.35 g/mol, XLogP of 0.81, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2Z,4Z)-hepta-2,4-dienoxy]ethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 143519655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).