2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol

C13H25NO2 — CID 126494281

IUPAC2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol
SMILESC/C=C(OCCO)\C(CC)=C(\N)C(C)CC
InChIInChI=1S/C13H25NO2/c1-5-10(4)13(14)11(6-2)12(7-3)16-9-8-15/h7,10,15H,5-6,8-9,14H2,1-4H3/b12-7+,13-11+
InChIKeyMWVAKPXECCYTQU-ZPLWXOMKSA-N
MW227.35 g/mol
LogP2.57
Rot. Bonds7

About 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol

2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol (PubChem CID 126494281) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol
PubChem CID126494281
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol
SMILESC/C=C(OCCO)\C(CC)=C(\N)C(C)CC
InChIInChI=1S/C13H25NO2/c1-5-10(4)13(14)11(6-2)12(7-3)16-9-8-15/h7,10,15H,5-6,8-9,14H2,1-4H3/b12-7+,13-11+
InChIKeyMWVAKPXECCYTQU-ZPLWXOMKSA-N
XLogP2.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol?
The IUPAC name of 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol (CID 126494281) is 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol.
What is the SMILES notation for 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol?
The canonical SMILES for 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol is C/C=C(OCCO)\C(CC)=C(\N)C(C)CC.
What is the InChIKey of 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol?
The InChIKey is MWVAKPXECCYTQU-ZPLWXOMKSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-10(4)13(14)11(6-2)12(7-3)16-9-8-15/h7,10,15H,5-6,8-9,14H2,1-4H3/b12-7+,13-11+.
What are the key properties of 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol?
2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol has a molecular weight of 227.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-5-amino-4-ethyl-6-methylocta-2,4-dien-3-yl]oxyethanol is sourced from PubChem (CID 126494281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).