methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate

C15H18O2 — CID 11665797

IUPACmethyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate
SMILESC/C=C(\C/C=C/c1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C15H18O2/c1-4-14(15(16)17-3)7-5-6-13-10-8-12(2)9-11-13/h4-6,8-11H,7H2,1-3H3/b6-5+,14-4+
InChIKeyKXXRWZKOPNQMLA-XLAORITDSA-N
MW230.31 g/mol
LogP3.52
Rot. Bonds4

About methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate

methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate (PubChem CID 11665797) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate
PubChem CID11665797
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namemethyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate
SMILESC/C=C(\C/C=C/c1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C15H18O2/c1-4-14(15(16)17-3)7-5-6-13-10-8-12(2)9-11-13/h4-6,8-11H,7H2,1-3H3/b6-5+,14-4+
InChIKeyKXXRWZKOPNQMLA-XLAORITDSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
methyl (Z)-3-(4-methylphenyl)-2-(sulfanylmethyl)prop-2-enoate
CID 42598287
methyl (E)-12-(4-methylphenyl)dodec-11-enoate
CID 169218729
methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate
CID 139700678
methyl (E)-2-(acetyloxymethyl)-3-(4-methylphenyl)prop-2-enoate
CID 15526246
dimethyl 2-[(4-methylphenyl)methylidene]propanedioate
CID 12501489
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)but-3-enamide
CID 110002888
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide
CID 91943136
(E)-N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide
CID 75377813
methyl 4-[4-(cyanomethyl)phenyl]but-3-enoate
CID 170500920

Frequently Asked Questions

What is the IUPAC name of methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate?
The IUPAC name of methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate (CID 11665797) is methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate.
What is the SMILES notation for methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate?
The canonical SMILES for methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate is C/C=C(\C/C=C/c1ccc(C)cc1)C(=O)OC.
What is the InChIKey of methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate?
The InChIKey is KXXRWZKOPNQMLA-XLAORITDSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-14(15(16)17-3)7-5-6-13-10-8-12(2)9-11-13/h4-6,8-11H,7H2,1-3H3/b6-5+,14-4+.
What are the key properties of methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate?
methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate has a molecular weight of 230.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate is sourced from PubChem (CID 11665797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).