1-(2,4-dimethylphenyl)decane-1,3-dione

C18H26O2 — CID 43321493

IUPAC1-(2,4-dimethylphenyl)decane-1,3-dione
SMILESCCCCCCCC(=O)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H26O2/c1-4-5-6-7-8-9-16(19)13-18(20)17-11-10-14(2)12-15(17)3/h10-12H,4-9,13H2,1-3H3
InChIKeyRVZQKSZMCLIDGF-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.81
Rot. Bonds9

About 1-(2,4-dimethylphenyl)decane-1,3-dione

1-(2,4-dimethylphenyl)decane-1,3-dione (PubChem CID 43321493) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)decane-1,3-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)decane-1,3-dione
PubChem CID43321493
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(2,4-dimethylphenyl)decane-1,3-dione
SMILESCCCCCCCC(=O)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H26O2/c1-4-5-6-7-8-9-16(19)13-18(20)17-11-10-14(2)12-15(17)3/h10-12H,4-9,13H2,1-3H3
InChIKeyRVZQKSZMCLIDGF-UHFFFAOYSA-N
XLogP4.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

N-[1-(2,4-dimethylphenyl)ethylideneamino]decanamide
CID 3291865
1-[4-(3-oxononanoyl)phenyl]nonane-1,3-dione
CID 101015760
1-(2,4-dichlorophenyl)decane-1,3-dione
CID 43321487
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
7-amino-1-(2,4-dimethylphenyl)heptan-1-one
CID 116551380
1-(2,4-difluorophenyl)octane-1,3-dione
CID 43321124
heptacosane-10,12-dione
CID 14235516
1-(2-fluoro-4-methylphenyl)octan-1-one
CID 114966540
1-(2-bromo-4-methylphenyl)heptan-1-one
CID 114966698
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)decane-1,3-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)decane-1,3-dione (CID 43321493) is 1-(2,4-dimethylphenyl)decane-1,3-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)decane-1,3-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)decane-1,3-dione is CCCCCCCC(=O)CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)decane-1,3-dione?
The InChIKey is RVZQKSZMCLIDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-5-6-7-8-9-16(19)13-18(20)17-11-10-14(2)12-15(17)3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)decane-1,3-dione?
1-(2,4-dimethylphenyl)decane-1,3-dione has a molecular weight of 274.40 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)decane-1,3-dione is sourced from PubChem (CID 43321493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).