methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate

C16H20O4 — CID 139785089

IUPACmethyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate
SMILESCCC(=C\c1ccc(OC)cc1)/C=C(/OC)C(=O)OC
InChIInChI=1S/C16H20O4/c1-5-12(11-15(19-3)16(17)20-4)10-13-6-8-14(18-2)9-7-13/h6-11H,5H2,1-4H3/b12-10+,15-11+
InChIKeyVWTIFNMSPCQBDT-NZWDAJRTSA-N
MW276.33 g/mol
LogP3.19
Rot. Bonds6

About methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate

methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate (PubChem CID 139785089) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate.

Molecular Properties

Compound Namemethyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate
PubChem CID139785089
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Namemethyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate
SMILESCCC(=C\c1ccc(OC)cc1)/C=C(/OC)C(=O)OC
InChIInChI=1S/C16H20O4/c1-5-12(11-15(19-3)16(17)20-4)10-13-6-8-14(18-2)9-7-13/h6-11H,5H2,1-4H3/b12-10+,15-11+
InChIKeyVWTIFNMSPCQBDT-NZWDAJRTSA-N
XLogP3.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate with MolForge

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Related Compounds

methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
CID 70545359
methyl (2E)-2-[(4-methoxyphenyl)methylidene]-4-oxopentanoate
CID 16664758
methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate
CID 141015073
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
methyl (E,4E)-4-benzylidene-2-methoxynon-2-enoate
CID 139785086
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
methyl (E)-2-[(methoxycarbonylamino)methyl]-3-(4-methoxyphenyl)prop-2-enoate
CID 102356904
methyl (Z)-3-(4-methoxyphenyl)-2-(trifluoromethylsulfanylmethyl)prop-2-enoate
CID 138974440
4-[(4-methoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one
CID 73153095
methyl (E)-3-(4-methoxyphenyl)-2-(pentafluoro-λ6-sulfanyl)prop-2-enoate
CID 132510965
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282

Frequently Asked Questions

What is the IUPAC name of methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate?
The IUPAC name of methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate (CID 139785089) is methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate.
What is the SMILES notation for methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate?
The canonical SMILES for methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate is CCC(=C\c1ccc(OC)cc1)/C=C(/OC)C(=O)OC.
What is the InChIKey of methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate?
The InChIKey is VWTIFNMSPCQBDT-NZWDAJRTSA-N. The full InChI is InChI=1S/C16H20O4/c1-5-12(11-15(19-3)16(17)20-4)10-13-6-8-14(18-2)9-7-13/h6-11H,5H2,1-4H3/b12-10+,15-11+.
What are the key properties of methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate?
methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate has a molecular weight of 276.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate is sourced from PubChem (CID 139785089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).