6-(2-ethenylphenyl)hexane-2,4-dione

C14H16O2 — CID 21392231

IUPAC6-(2-ethenylphenyl)hexane-2,4-dione
SMILESC=Cc1ccccc1CCC(=O)CC(C)=O
InChIInChI=1S/C14H16O2/c1-3-12-6-4-5-7-13(12)8-9-14(16)10-11(2)15/h3-7H,1,8-10H2,2H3
InChIKeyKSZOOMUALDIEFY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.81
Rot. Bonds6

About 6-(2-ethenylphenyl)hexane-2,4-dione

6-(2-ethenylphenyl)hexane-2,4-dione (PubChem CID 21392231) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(2-ethenylphenyl)hexane-2,4-dione.

Molecular Properties

Compound Name6-(2-ethenylphenyl)hexane-2,4-dione
PubChem CID21392231
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name6-(2-ethenylphenyl)hexane-2,4-dione
SMILESC=Cc1ccccc1CCC(=O)CC(C)=O
InChIInChI=1S/C14H16O2/c1-3-12-6-4-5-7-13(12)8-9-14(16)10-11(2)15/h3-7H,1,8-10H2,2H3
InChIKeyKSZOOMUALDIEFY-UHFFFAOYSA-N
XLogP2.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
5-(2-ethenylphenyl)pentanoic acid
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1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
CID 174879691
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
1-ethenyl-2-pentylbenzene
CID 22171756
1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one
CID 102380406
2-(2-ethenylphenyl)-N,N-diethylacetamide
CID 122394792
1-butyl-2-ethenylbenzene;2-ethoxyacetic acid
CID 174381438
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethenylphenyl)hexane-2,4-dione?
The IUPAC name of 6-(2-ethenylphenyl)hexane-2,4-dione (CID 21392231) is 6-(2-ethenylphenyl)hexane-2,4-dione.
What is the SMILES notation for 6-(2-ethenylphenyl)hexane-2,4-dione?
The canonical SMILES for 6-(2-ethenylphenyl)hexane-2,4-dione is C=Cc1ccccc1CCC(=O)CC(C)=O.
What is the InChIKey of 6-(2-ethenylphenyl)hexane-2,4-dione?
The InChIKey is KSZOOMUALDIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-12-6-4-5-7-13(12)8-9-14(16)10-11(2)15/h3-7H,1,8-10H2,2H3.
What are the key properties of 6-(2-ethenylphenyl)hexane-2,4-dione?
6-(2-ethenylphenyl)hexane-2,4-dione has a molecular weight of 216.28 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethenylphenyl)hexane-2,4-dione is sourced from PubChem (CID 21392231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).