ethyl 5-(4-methylphenyl)hex-4-enoate

C15H20O2 — CID 67331298

IUPACethyl 5-(4-methylphenyl)hex-4-enoate
SMILESCCOC(=O)CCC=C(C)c1ccc(C)cc1
InChIInChI=1S/C15H20O2/c1-4-17-15(16)7-5-6-13(3)14-10-8-12(2)9-11-14/h6,8-11H,4-5,7H2,1-3H3
InChIKeyXEFJQWPXRJSTGS-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.74
Rot. Bonds5

About ethyl 5-(4-methylphenyl)hex-4-enoate

ethyl 5-(4-methylphenyl)hex-4-enoate (PubChem CID 67331298) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl 5-(4-methylphenyl)hex-4-enoate.

Molecular Properties

Compound Nameethyl 5-(4-methylphenyl)hex-4-enoate
PubChem CID67331298
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethyl 5-(4-methylphenyl)hex-4-enoate
SMILESCCOC(=O)CCC=C(C)c1ccc(C)cc1
InChIInChI=1S/C15H20O2/c1-4-17-15(16)7-5-6-13(3)14-10-8-12(2)9-11-14/h6,8-11H,4-5,7H2,1-3H3
InChIKeyXEFJQWPXRJSTGS-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-6-(4-methylphenyl)hept-5-en-2-one
CID 15742291
ethyl 5-(3-bromothiophen-2-yl)hex-4-enoate
CID 91066885
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
ethyl 7-(4-methylphenyl)-7-oxoheptanoate
CID 24727327
ethyl (Z)-5-methylhept-4-enoate
CID 11116490
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethyl 4-[(Z)-but-2-en-2-yl]benzoate
CID 145025321

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methylphenyl)hex-4-enoate?
The IUPAC name of ethyl 5-(4-methylphenyl)hex-4-enoate (CID 67331298) is ethyl 5-(4-methylphenyl)hex-4-enoate.
What is the SMILES notation for ethyl 5-(4-methylphenyl)hex-4-enoate?
The canonical SMILES for ethyl 5-(4-methylphenyl)hex-4-enoate is CCOC(=O)CCC=C(C)c1ccc(C)cc1.
What is the InChIKey of ethyl 5-(4-methylphenyl)hex-4-enoate?
The InChIKey is XEFJQWPXRJSTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-17-15(16)7-5-6-13(3)14-10-8-12(2)9-11-14/h6,8-11H,4-5,7H2,1-3H3.
What are the key properties of ethyl 5-(4-methylphenyl)hex-4-enoate?
ethyl 5-(4-methylphenyl)hex-4-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methylphenyl)hex-4-enoate is sourced from PubChem (CID 67331298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).