5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

C16H26O4 — CID 101157402

IUPAC5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCCCCC/C=C/CCCC1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C16H26O4/c1-4-5-6-7-8-9-10-11-12-13-14(17)19-16(2,3)20-15(13)18/h8-9,13H,4-7,10-12H2,1-3H3/b9-8+
InChIKeyGJIGQOYYQLZUCR-CMDGGOBGSA-N
MW282.38 g/mol
LogP3.75
Rot. Bonds8

About 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 101157402) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID101157402
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCCCCC/C=C/CCCC1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C16H26O4/c1-4-5-6-7-8-9-10-11-12-13-14(17)19-16(2,3)20-15(13)18/h8-9,13H,4-7,10-12H2,1-3H3/b9-8+
InChIKeyGJIGQOYYQLZUCR-CMDGGOBGSA-N
XLogP3.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[(E)-hex-4-enyl]propanedioate
CID 10933666
diethyl 2-[(E)-hex-4-enyl]propanedioate
CID 10933666
5-Hexa-4,5-dienyl-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 85701758
2,3,8,8-Tetramethyl-7,9-dioxaspiro[4.5]dec-3-ene-6,10-dione
CID 101226977
5-[(2E,7E)-4,4-dimethylnona-2,7-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 101809778
2,2-dimethyl-5-(2-methylbuta-2,3-dienyl)-5-[(2E)-penta-2,4-dienyl]-1,3-dioxane-4,6-dione
CID 101916611
dimethyl 2-[(Z)-non-4-enyl]propanedioate
CID 102409806
ditert-butyl 2-[(E)-hex-4-enyl]propanedioate
CID 134864383
5-[(E)-6-hydroxyhex-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 135084382
methyl 3-[5-[(2E,7E)-4,4-dimethylnona-2,7-dienyl]-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl]propanoate
CID 139254457
diethyl 2-[(E)-7-oxooct-4-enyl]propanedioate
CID 11108854
diethyl 2-[(E)-7-oxooct-4-enyl]propanedioate
CID 11108854

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 101157402) is 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is CCCCC/C=C/CCCC1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is GJIGQOYYQLZUCR-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H26O4/c1-4-5-6-7-8-9-10-11-12-13-14(17)19-16(2,3)20-15(13)18/h8-9,13H,4-7,10-12H2,1-3H3/b9-8+.
What are the key properties of 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 282.38 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-dec-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 101157402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).