ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate

C15H18O2 — CID 44605264

IUPACethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate
SMILESCCOC(=O)C(=C=Cc1ccc(C)cc1)CC
InChIInChI=1S/C15H18O2/c1-4-14(15(16)17-5-2)11-10-13-8-6-12(3)7-9-13/h6-10H,4-5H2,1-3H3
InChIKeyMWLSATANGOOCJV-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.51
Rot. Bonds4

About ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate

ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate (PubChem CID 44605264) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate
PubChem CID44605264
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate
SMILESCCOC(=O)C(=C=Cc1ccc(C)cc1)CC
InChIInChI=1S/C15H18O2/c1-4-14(15(16)17-5-2)11-10-13-8-6-12(3)7-9-13/h6-10H,4-5H2,1-3H3
InChIKeyMWLSATANGOOCJV-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-ethyl-4-phenylbuta-2,3-dienoate
CID 132532448
ethyl 4-(4-methoxyphenyl)-2-methylbuta-2,3-dienoate
CID 11253262
ethyl 4-(4-fluorophenyl)-2-methylbuta-2,3-dienoate
CID 11481404
diethyl 2-[[4-(4-methylphenyl)phenyl]methylidene]propanedioate
CID 139668772
1-[(4E)-3-butyl-4-ethylhepta-1,2,4-trienyl]-4-methylbenzene
CID 11594194
ethyl 2-azido-3-(4-methylphenyl)prop-2-enoate
CID 72739560
ethyl (E)-2-benzyl-3-(4-methylphenyl)prop-2-enoate
CID 15851794
ethyl (E)-2-(4-methylphenyl)but-2-enoate
CID 88506230
ethyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 71440543
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-(3-methoxyphenyl)-2-methylbuta-2,3-dienoate
CID 117059022
ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate
CID 101441140

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate?
The IUPAC name of ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate (CID 44605264) is ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate.
What is the SMILES notation for ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate?
The canonical SMILES for ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate is CCOC(=O)C(=C=Cc1ccc(C)cc1)CC.
What is the InChIKey of ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate?
The InChIKey is MWLSATANGOOCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-14(15(16)17-5-2)11-10-13-8-6-12(3)7-9-13/h6-10H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate?
ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate has a molecular weight of 230.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-(4-methylphenyl)buta-2,3-dienoate is sourced from PubChem (CID 44605264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).