5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C19H25NO6 — CID 137478861

IUPAC5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESC=C(C)C(=O)CCCN(C)/C=C/C=C(\O)C=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C19H25NO6/c1-13(2)16(22)9-7-11-20(5)10-6-8-14(21)12-15-17(23)25-19(3,4)26-18(15)24/h6,8,10,12,21H,1,7,9,11H2,2-5H3/b10-6+,14-8-
InChIKeyOUICOYJXDRGKEA-UUIXNEETSA-N
MW363.41 g/mol
LogP2.56
Rot. Bonds8

About 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 137478861) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID137478861
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESC=C(C)C(=O)CCCN(C)/C=C/C=C(\O)C=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C19H25NO6/c1-13(2)16(22)9-7-11-20(5)10-6-8-14(21)12-15-17(23)25-19(3,4)26-18(15)24/h6,8,10,12,21H,1,7,9,11H2,2-5H3/b10-6+,14-8-
InChIKeyOUICOYJXDRGKEA-UUIXNEETSA-N
XLogP2.56
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 137478861) is 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is C=C(C)C(=O)CCCN(C)/C=C/C=C(\O)C=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is OUICOYJXDRGKEA-UUIXNEETSA-N. The full InChI is InChI=1S/C19H25NO6/c1-13(2)16(22)9-7-11-20(5)10-6-8-14(21)12-15-17(23)25-19(3,4)26-18(15)24/h6,8,10,12,21H,1,7,9,11H2,2-5H3/b10-6+,14-8-.
What are the key properties of 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 363.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-2-hydroxy-5-[methyl-(5-methyl-4-oxohex-5-enyl)amino]penta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 137478861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).