prop-2-enyl 2,4,6-trimethylbenzoate

C13H16O2 — CID 15783311

IUPACprop-2-enyl 2,4,6-trimethylbenzoate
SMILESC=CCOC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H16O2/c1-5-6-15-13(14)12-10(3)7-9(2)8-11(12)4/h5,7-8H,1,6H2,2-4H3
InChIKeyYPTDKKIREGROLI-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.95
Rot. Bonds3

About prop-2-enyl 2,4,6-trimethylbenzoate

prop-2-enyl 2,4,6-trimethylbenzoate (PubChem CID 15783311) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is prop-2-enyl 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Nameprop-2-enyl 2,4,6-trimethylbenzoate
PubChem CID15783311
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nameprop-2-enyl 2,4,6-trimethylbenzoate
SMILESC=CCOC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H16O2/c1-5-6-15-13(14)12-10(3)7-9(2)8-11(12)4/h5,7-8H,1,6H2,2-4H3
InChIKeyYPTDKKIREGROLI-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 62029854
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 83700582
bis(prop-2-enyl) 3,6-dimethylpyrazine-2,5-dicarboxylate
CID 146258355
prop-2-enyl 3-methyl-5-nitrobenzoate
CID 22168557
prop-2-enyl 2,3,4,5,6-pentafluorobenzoate
CID 606766
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281
1-fluoroethenyl 2,4,6-trimethylbenzoate
CID 101453567
prop-2-enyl (2S)-2-(2,3,5-trimethylanilino)propanoate
CID 54485034
2,6-dimethyl-5-prop-2-enoxycarbonylpyrimidine-4-carboxylic acid
CID 42742224
bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate
CID 71338498
bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate
CID 53236040

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2,4,6-trimethylbenzoate?
The IUPAC name of prop-2-enyl 2,4,6-trimethylbenzoate (CID 15783311) is prop-2-enyl 2,4,6-trimethylbenzoate.
What is the SMILES notation for prop-2-enyl 2,4,6-trimethylbenzoate?
The canonical SMILES for prop-2-enyl 2,4,6-trimethylbenzoate is C=CCOC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of prop-2-enyl 2,4,6-trimethylbenzoate?
The InChIKey is YPTDKKIREGROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-5-6-15-13(14)12-10(3)7-9(2)8-11(12)4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of prop-2-enyl 2,4,6-trimethylbenzoate?
prop-2-enyl 2,4,6-trimethylbenzoate has a molecular weight of 204.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,4,6-trimethylbenzoate is sourced from PubChem (CID 15783311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).