ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid

C17H20O4 — CID 67416280

IUPACethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid
SMILESC=C(CC=Cc1ccccc1)C(=O)O.C=CC(=O)OCC
InChIInChI=1S/C12H12O2.C5H8O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11;1-3-5(6)7-4-2/h2-5,7-9H,1,6H2,(H,13,14);3H,1,4H2,2H3
InChIKeyRMVNVZYXCVQEAH-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.47
Rot. Bonds6

About ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid

ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid (PubChem CID 67416280) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Nameethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid
PubChem CID67416280
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Nameethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid
SMILESC=C(CC=Cc1ccccc1)C(=O)O.C=CC(=O)OCC
InChIInChI=1S/C12H12O2.C5H8O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11;1-3-5(6)7-4-2/h2-5,7-9H,1,6H2,(H,13,14);3H,1,4H2,2H3
InChIKeyRMVNVZYXCVQEAH-UHFFFAOYSA-N
XLogP3.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoyl chloride
CID 88777701
2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoic acid;styrene
CID 158748751
2-methylidenehexanoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 69286531
2-methylbut-2-enoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 70152927
butyl prop-2-enoate;2-isocyanatoethyl 2-methylidene-5-phenylpent-4-enoate
CID 88730079
ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate
CID 101441140
ethyl prop-2-enoate;sulfane
CID 157093783
(E)-2-methylidene-5-phenylpent-4-enoate
CID 22242504
octadecyl 2-methylidene-5-phenylpent-4-enoate
CID 70031046
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene
CID 161285099
ethyl carbamate;stilbene
CID 175156091
2-ethylhexyl 2-methylprop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid
CID 67332717

Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid?
The IUPAC name of ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid (CID 67416280) is ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid.
What is the SMILES notation for ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid?
The canonical SMILES for ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid is C=C(CC=Cc1ccccc1)C(=O)O.C=CC(=O)OCC.
What is the InChIKey of ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid?
The InChIKey is RMVNVZYXCVQEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2.C5H8O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11;1-3-5(6)7-4-2/h2-5,7-9H,1,6H2,(H,13,14);3H,1,4H2,2H3.
What are the key properties of ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid?
ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid has a molecular weight of 288.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;2-methylidene-5-phenylpent-4-enoic acid is sourced from PubChem (CID 67416280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).