5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione

C16H24O5 — CID 91318791

IUPAC5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCCCCCC=CCCC(=O)C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C16H24O5/c1-4-5-6-7-8-9-10-11-12(17)13-14(18)20-16(2,3)21-15(13)19/h8-9,13H,4-7,10-11H2,1-3H3
InChIKeyDFMHWPDNQBCVHE-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.92
Rot. Bonds8

About 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione

5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 91318791) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID91318791
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCCCCCC=CCCC(=O)C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C16H24O5/c1-4-5-6-7-8-9-10-11-12(17)13-14(18)20-16(2,3)21-15(13)19/h8-9,13H,4-7,10-11H2,1-3H3
InChIKeyDFMHWPDNQBCVHE-UHFFFAOYSA-N
XLogP2.92
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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
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
diethyl 2-[(E)-7-oxooct-4-enyl]propanedioate
CID 11108854
3,3,7,7,11-Pentamethyl-2,4-dioxaspiro[5.5]undec-9-ene-1,5-quinone
CID 24977269
2,2-Dimethyl-5-(2-methylpent-4-enoyl)-1,3-dioxane-4,6-dione
CID 123971368
2,2-Dimethyl-5-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]-1,3-dioxane-4,6-dione;ethane
CID 143812879
2,2-Dimethyl-5-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]-1,3-dioxane-4,6-dione;ethane
CID 143812879
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 144914519
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 144914519

Frequently Asked Questions

What is the IUPAC name of 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 91318791) is 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione is CCCCCC=CCCC(=O)C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is DFMHWPDNQBCVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-4-5-6-7-8-9-10-11-12(17)13-14(18)20-16(2,3)21-15(13)19/h8-9,13H,4-7,10-11H2,1-3H3.
What are the key properties of 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 296.36 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dec-4-enoyl-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 91318791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).