ethyl 2-ethyl-4-phenylpent-2-enoate

C15H20O2 — CID 123338226

IUPACethyl 2-ethyl-4-phenylpent-2-enoate
SMILESCCOC(=O)C(=CC(C)c1ccccc1)CC
InChIInChI=1S/C15H20O2/c1-4-13(15(16)17-5-2)11-12(3)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyYCVSDEGYNDYKMI-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.69
Rot. Bonds5

About ethyl 2-ethyl-4-phenylpent-2-enoate

ethyl 2-ethyl-4-phenylpent-2-enoate (PubChem CID 123338226) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl 2-ethyl-4-phenylpent-2-enoate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-phenylpent-2-enoate
PubChem CID123338226
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethyl 2-ethyl-4-phenylpent-2-enoate
SMILESCCOC(=O)C(=CC(C)c1ccccc1)CC
InChIInChI=1S/C15H20O2/c1-4-13(15(16)17-5-2)11-12(3)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3
InChIKeyYCVSDEGYNDYKMI-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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

diethyl 2-[(2S)-2-phenylpropylidene]propanedioate
CID 101044093
ethyl (E)-5-acetyl-2-ethyl-6-oxo-4-phenylhept-2-enoate
CID 57412901
ethyl (E)-2-methyl-4-phenylpent-2-enoate;(E)-2-methyl-4-phenylpent-2-en-1-ol
CID 158052477
[(E,2R)-4-ethoxypent-3-en-2-yl]benzene
CID 59915630
dibutyl 2-[(2R)-2-phenylpropylidene]propanedioate
CID 102597585
dipropan-2-yl 2-(2-phenylpropylidene)propanedioate
CID 141417794
butyl (E)-2-fluoro-4-phenylpent-2-enoate
CID 101182486
ethyl (Z,4R,5R)-2-bromo-4,5-dihydroxy-5-phenylpent-2-enoate
CID 10781606
ethyl (Z)-2-(diethylamino)-4,4-diphenylbut-2-enoate;hydrochloride
CID 175493317
ethyl 2-methylidene-3-phenylbutanoate
CID 10081635
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
ethyl 5-phenylhex-3-enoate
CID 71407022

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-phenylpent-2-enoate?
The IUPAC name of ethyl 2-ethyl-4-phenylpent-2-enoate (CID 123338226) is ethyl 2-ethyl-4-phenylpent-2-enoate.
What is the SMILES notation for ethyl 2-ethyl-4-phenylpent-2-enoate?
The canonical SMILES for ethyl 2-ethyl-4-phenylpent-2-enoate is CCOC(=O)C(=CC(C)c1ccccc1)CC.
What is the InChIKey of ethyl 2-ethyl-4-phenylpent-2-enoate?
The InChIKey is YCVSDEGYNDYKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-13(15(16)17-5-2)11-12(3)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-4-phenylpent-2-enoate?
ethyl 2-ethyl-4-phenylpent-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-phenylpent-2-enoate is sourced from PubChem (CID 123338226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).