(4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol

C10H15NO — CID 163719440

IUPAC(4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol
SMILESC=CC(O)C(/C=N/C)=C/C=C/C
InChIInChI=1S/C10H15NO/c1-4-6-7-9(8-11-3)10(12)5-2/h4-8,10,12H,2H2,1,3H3/b6-4+,9-7+,11-8+
InChIKeyKQFXOGLJHUJHSU-CKOLANTHSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds4

About (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol

(4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol (PubChem CID 163719440) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol.

Molecular Properties

Compound Name(4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol
PubChem CID163719440
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol
SMILESC=CC(O)C(/C=N/C)=C/C=C/C
InChIInChI=1S/C10H15NO/c1-4-6-7-9(8-11-3)10(12)5-2/h4-8,10,12H,2H2,1,3H3/b6-4+,9-7+,11-8+
InChIKeyKQFXOGLJHUJHSU-CKOLANTHSA-N
XLogP1.74
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

8-Ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
CID 91108021
(Z)-3-methylidene-6-methyliminohex-4-en-2-ol
CID 88267968
(E)-2-(methyliminomethyl)pent-2-en-1-ol
CID 89029220
1-(2,3-Dihydropyridin-5-yl)propan-1-ol
CID 89150639
(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(4E)-4-methanimidoyl-7-methylocta-4,6-dien-3-ol
CID 89771742
1-(2,3-Dihydropyridin-5-yl)but-3-en-1-ol
CID 121327394
(4-Hydroxy-3-methylcyclohexa-1,5-dien-1-yl)methylidenecyanamide
CID 123530431
4-(Methyliminomethyl)cyclohexa-2,4-dien-1-ol
CID 123677955
1-(2,3-Dihydropyridin-5-yl)ethanol
CID 123819393
2-(2-Hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol
CID 123912277
(2E,3Z)-5-(2,3-dihydropyridin-5-yl)-2-ethylidenehexa-3,5-dien-1-ol;ethane
CID 141921339

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol?
The IUPAC name of (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol (CID 163719440) is (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol.
What is the SMILES notation for (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol?
The canonical SMILES for (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol is C=CC(O)C(/C=N/C)=C/C=C/C.
What is the InChIKey of (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol?
The InChIKey is KQFXOGLJHUJHSU-CKOLANTHSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-7-9(8-11-3)10(12)5-2/h4-8,10,12H,2H2,1,3H3/b6-4+,9-7+,11-8+.
What are the key properties of (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol?
(4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol has a molecular weight of 165.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-4-(methyliminomethyl)octa-1,4,6-trien-3-ol is sourced from PubChem (CID 163719440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).