2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol

C11H21NO3 — CID 130373264

IUPAC2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol
SMILESC/C(=C\C=C/C(C)OCCN)OCCO
InChIInChI=1S/C11H21NO3/c1-10(14-8-6-12)4-3-5-11(2)15-9-7-13/h3-5,10,13H,6-9,12H2,1-2H3/b4-3-,11-5+
InChIKeyCBUKGYTZTDFGCJ-LDTZZKCISA-N
MW215.29 g/mol
LogP0.82
Rot. Bonds8

About 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol

2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol (PubChem CID 130373264) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol
PubChem CID130373264
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol
SMILESC/C(=C\C=C/C(C)OCCN)OCCO
InChIInChI=1S/C11H21NO3/c1-10(14-8-6-12)4-3-5-11(2)15-9-7-13/h3-5,10,13H,6-9,12H2,1-2H3/b4-3-,11-5+
InChIKeyCBUKGYTZTDFGCJ-LDTZZKCISA-N
XLogP0.82
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol
CID 143627970
1-Amino-3-[4-(ethoxymethylidene)cyclohexa-2,5-dien-1-yl]oxypropan-2-ol;hydrochloride
CID 20352679
1-Amino-3-[4-(methoxymethylidene)cyclohexa-2,5-dien-1-yl]oxypropan-2-ol;hydrochloride
CID 20352701
1-Amino-3-[4-(ethoxymethylidene)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol;hydrochloride
CID 70618828
1-Amino-3-[4-(methoxymethylidene)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol;hydrochloride
CID 70619047
1-Amino-3-(2,5-dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-ol
CID 89297913
1-Amino-3-hexa-2,4-dien-3-yloxypropan-2-ol
CID 90726226
1-Amino-3-penta-1,3-dien-3-yloxypropan-2-ol
CID 123651859
2-[(1S)-5-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine
CID 130373217
2-[(3E,5Z)-2-(4-methoxybutoxy)nona-3,5,8-trien-4-yl]oxyethanamine
CID 130373299
2-[5-(2-Methoxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanamine
CID 130373301
(Z)-1-(2-aminoethoxy)pent-2-en-2-ol
CID 141749074

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol?
The IUPAC name of 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol (CID 130373264) is 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol.
What is the SMILES notation for 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol?
The canonical SMILES for 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol is C/C(=C\C=C/C(C)OCCN)OCCO.
What is the InChIKey of 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol?
The InChIKey is CBUKGYTZTDFGCJ-LDTZZKCISA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(14-8-6-12)4-3-5-11(2)15-9-7-13/h3-5,10,13H,6-9,12H2,1-2H3/b4-3-,11-5+.
What are the key properties of 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol?
2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol has a molecular weight of 215.29 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol is sourced from PubChem (CID 130373264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).