ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate

C15H16O2 — CID 101441140

IUPACethyl (E)-2-ethenylidene-5-phenylpent-4-enoate
SMILESC=C=C(C/C=C/c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H16O2/c1-3-14(15(16)17-4-2)12-8-11-13-9-6-5-7-10-13/h5-11H,1,4,12H2,2H3/b11-8+
InChIKeyGDGWHNXRJCVRHE-DHZHZOJOSA-N
MW228.29 g/mol
LogP3.36
Rot. Bonds5

About ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate

ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate (PubChem CID 101441140) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-2-ethenylidene-5-phenylpent-4-enoate
PubChem CID101441140
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Nameethyl (E)-2-ethenylidene-5-phenylpent-4-enoate
SMILESC=C=C(C/C=C/c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H16O2/c1-3-14(15(16)17-4-2)12-8-11-13-9-6-5-7-10-13/h5-11H,1,4,12H2,2H3/b11-8+
InChIKeyGDGWHNXRJCVRHE-DHZHZOJOSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.36
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

ethyl 2-methylidene-4-phenylbut-3-enoate
CID 54282000
ethyl (E)-2,4-dioxo-6-phenylhex-5-enoate
CID 5374346
ethyl 4-(4-anilinophenyl)but-3-enoate
CID 170797083
ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid
CID 67416280
octadecyl 2-methylidene-5-phenylpent-4-enoate
CID 70031046
(E)-3-[4-(4-ethoxy-4-oxobut-1-enyl)phenyl]prop-2-enoic acid
CID 170796667
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate
CID 10752945
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281
1-O-benzyl 4-O-ethyl 2-ethenylidenebutanedioate
CID 86074965

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate?
The IUPAC name of ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate (CID 101441140) is ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate.
What is the SMILES notation for ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate?
The canonical SMILES for ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate is C=C=C(C/C=C/c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate?
The InChIKey is GDGWHNXRJCVRHE-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-14(15(16)17-4-2)12-8-11-13-9-6-5-7-10-13/h5-11H,1,4,12H2,2H3/b11-8+.
What are the key properties of ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate?
ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate has a molecular weight of 228.29 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate is sourced from PubChem (CID 101441140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).