1-phenyldecane-1,3,6,9-tetrone

C16H18O4 — CID 132518013

IUPAC1-phenyldecane-1,3,6,9-tetrone
SMILESCC(=O)CCC(=O)CCC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C16H18O4/c1-12(17)7-8-14(18)9-10-15(19)11-16(20)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyWCCCPSRNAGOISU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.55
Rot. Bonds9

About 1-phenyldecane-1,3,6,9-tetrone

1-phenyldecane-1,3,6,9-tetrone (PubChem CID 132518013) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-phenyldecane-1,3,6,9-tetrone.

Molecular Properties

Compound Name1-phenyldecane-1,3,6,9-tetrone
PubChem CID132518013
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name1-phenyldecane-1,3,6,9-tetrone
SMILESCC(=O)CCC(=O)CCC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C16H18O4/c1-12(17)7-8-14(18)9-10-15(19)11-16(20)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyWCCCPSRNAGOISU-UHFFFAOYSA-N
XLogP2.55
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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5-(3,5-dioxo-5-phenylpentyl)sulfanyl-1-phenylpentane-1,3-dione
CID 20510698
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1-phenylheptane-1,6-dione
CID 11333176
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenyldodecane-1,11-dione
CID 13147766
(Z)-3-methyl-1-phenylpent-3-en-1-one
CID 101075943
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Frequently Asked Questions

What is the IUPAC name of 1-phenyldecane-1,3,6,9-tetrone?
The IUPAC name of 1-phenyldecane-1,3,6,9-tetrone (CID 132518013) is 1-phenyldecane-1,3,6,9-tetrone.
What is the SMILES notation for 1-phenyldecane-1,3,6,9-tetrone?
The canonical SMILES for 1-phenyldecane-1,3,6,9-tetrone is CC(=O)CCC(=O)CCC(=O)CC(=O)c1ccccc1.
What is the InChIKey of 1-phenyldecane-1,3,6,9-tetrone?
The InChIKey is WCCCPSRNAGOISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-12(17)7-8-14(18)9-10-15(19)11-16(20)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3.
What are the key properties of 1-phenyldecane-1,3,6,9-tetrone?
1-phenyldecane-1,3,6,9-tetrone has a molecular weight of 274.32 g/mol, XLogP of 2.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldecane-1,3,6,9-tetrone is sourced from PubChem (CID 132518013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).