3-acetyl-4-phenyldecane-2,6-dione

C18H24O3 — CID 101488096

IUPAC3-acetyl-4-phenyldecane-2,6-dione
SMILESCCCCC(=O)CC(c1ccccc1)C(C(C)=O)C(C)=O
InChIInChI=1S/C18H24O3/c1-4-5-11-16(21)12-17(15-9-7-6-8-10-15)18(13(2)19)14(3)20/h6-10,17-18H,4-5,11-12H2,1-3H3
InChIKeyAVCRTPKEPVVNLN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.71
Rot. Bonds9

About 3-acetyl-4-phenyldecane-2,6-dione

3-acetyl-4-phenyldecane-2,6-dione (PubChem CID 101488096) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-acetyl-4-phenyldecane-2,6-dione.

Molecular Properties

Compound Name3-acetyl-4-phenyldecane-2,6-dione
PubChem CID101488096
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name3-acetyl-4-phenyldecane-2,6-dione
SMILESCCCCC(=O)CC(c1ccccc1)C(C(C)=O)C(C)=O
InChIInChI=1S/C18H24O3/c1-4-5-11-16(21)12-17(15-9-7-6-8-10-15)18(13(2)19)14(3)20/h6-10,17-18H,4-5,11-12H2,1-3H3
InChIKeyAVCRTPKEPVVNLN-UHFFFAOYSA-N
XLogP3.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-oxo-2-[phenyl(sulfanyl)methyl]butanoic acid
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1-phenylnonane-3,5-dione
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1,1-diphenylheptane-2,3-dione
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2-methyl-1-phenyloct-1-en-4-one
CID 71411118
4-oxo-3-phenylpentanoate
CID 78435368
dibenzyl 2-[(1R)-3-oxo-1-phenylpentyl]propanedioate
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2-benzyl-4-oxodecanal
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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-phenyldecane-2,6-dione?
The IUPAC name of 3-acetyl-4-phenyldecane-2,6-dione (CID 101488096) is 3-acetyl-4-phenyldecane-2,6-dione.
What is the SMILES notation for 3-acetyl-4-phenyldecane-2,6-dione?
The canonical SMILES for 3-acetyl-4-phenyldecane-2,6-dione is CCCCC(=O)CC(c1ccccc1)C(C(C)=O)C(C)=O.
What is the InChIKey of 3-acetyl-4-phenyldecane-2,6-dione?
The InChIKey is AVCRTPKEPVVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-4-5-11-16(21)12-17(15-9-7-6-8-10-15)18(13(2)19)14(3)20/h6-10,17-18H,4-5,11-12H2,1-3H3.
What are the key properties of 3-acetyl-4-phenyldecane-2,6-dione?
3-acetyl-4-phenyldecane-2,6-dione has a molecular weight of 288.39 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-phenyldecane-2,6-dione is sourced from PubChem (CID 101488096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).