6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione

C20H32O4 — CID 10308749

IUPAC6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
SMILESCCCCCCCCCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C20H32O4/c1-6-7-8-9-10-11-12-13-14(21)15-16(22)19(2,3)18(24)20(4,5)17(15)23/h15H,6-13H2,1-5H3
InChIKeyUKYHLLGYGAUXBA-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.09
Rot. Bonds9

About 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione

6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione (PubChem CID 10308749) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione.

Molecular Properties

Compound Name6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
PubChem CID10308749
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
SMILESCCCCCCCCCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C20H32O4/c1-6-7-8-9-10-11-12-13-14(21)15-16(22)19(2,3)18(24)20(4,5)17(15)23/h15H,6-13H2,1-5H3
InChIKeyUKYHLLGYGAUXBA-UHFFFAOYSA-N
XLogP4.09
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione?
The IUPAC name of 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione (CID 10308749) is 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione.
What is the SMILES notation for 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione?
The canonical SMILES for 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione is CCCCCCCCCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O.
What is the InChIKey of 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione?
The InChIKey is UKYHLLGYGAUXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-6-7-8-9-10-11-12-13-14(21)15-16(22)19(2,3)18(24)20(4,5)17(15)23/h15H,6-13H2,1-5H3.
What are the key properties of 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione?
6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione has a molecular weight of 336.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione is sourced from PubChem (CID 10308749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).