methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate

C15H16O4 — CID 11402712

IUPACmethyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate
SMILESCOC(=O)/C(=C/C=C/c1ccccc1)COC(C)=O
InChIInChI=1S/C15H16O4/c1-12(16)19-11-14(15(17)18-2)10-6-9-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3/b9-6+,14-10+
InChIKeyHVWKDJHTCXPXIV-UYQSWCAZSA-N
MW260.29 g/mol
LogP2.36
Rot. Bonds5

About methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate

methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate (PubChem CID 11402712) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate
PubChem CID11402712
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namemethyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate
SMILESCOC(=O)/C(=C/C=C/c1ccccc1)COC(C)=O
InChIInChI=1S/C15H16O4/c1-12(16)19-11-14(15(17)18-2)10-6-9-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3/b9-6+,14-10+
InChIKeyHVWKDJHTCXPXIV-UYQSWCAZSA-N
XLogP2.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 10889836
methyl (2E)-2-(acetyloxymethyl)-5-methylhexa-2,4-dienoate
CID 11321814
(3Z,5E)-3-methoxy-6-phenylhexa-3,5-dien-2-one
CID 101120530
ethyl (Z)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 134918551
methyl (E)-2-(acetyloxymethyl)-3-(4-methylphenyl)prop-2-enoate
CID 15526246
ethyl acetate;stilbene
CID 159556390
methyl (E)-2-(acetyloxymethyl)-3-(4-bromophenyl)prop-2-enoate
CID 42611572
methyl (2E,3E,5E)-3-bromo-2-(methoxymethylidene)-6-phenylhexa-3,5-dienoate
CID 139881325
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
methyl (Z)-2-(acetyloxymethyl)-3-(3-nitrophenyl)prop-2-enoate
CID 134918559
acetyloxymethyl (2E,4E)-5-phenylpenta-2,4-dienoate
CID 22731468
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
CID 174480451

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate (CID 11402712) is methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate is COC(=O)/C(=C/C=C/c1ccccc1)COC(C)=O.
What is the InChIKey of methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate?
The InChIKey is HVWKDJHTCXPXIV-UYQSWCAZSA-N. The full InChI is InChI=1S/C15H16O4/c1-12(16)19-11-14(15(17)18-2)10-6-9-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3/b9-6+,14-10+.
What are the key properties of methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate?
methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate has a molecular weight of 260.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-2-(acetyloxymethyl)-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 11402712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).