methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate

C17H20O4 — CID 146653275

IUPACmethyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate
SMILESCOC(=O)CC(=O)CCOC/C=C/C=C/c1ccccc1
InChIInChI=1S/C17H20O4/c1-20-17(19)14-16(18)11-13-21-12-7-3-6-10-15-8-4-2-5-9-15/h2-10H,11-14H2,1H3/b7-3+,10-6+
InChIKeyYUGZJTSHXHSECS-ASVGJQBISA-N
MW288.34 g/mol
LogP2.79
Rot. Bonds9

About methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate

methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate (PubChem CID 146653275) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate.

Molecular Properties

Compound Namemethyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate
PubChem CID146653275
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Namemethyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate
SMILESCOC(=O)CC(=O)CCOC/C=C/C=C/c1ccccc1
InChIInChI=1S/C17H20O4/c1-20-17(19)14-16(18)11-13-21-12-7-3-6-10-15-8-4-2-5-9-15/h2-10H,11-14H2,1H3/b7-3+,10-6+
InChIKeyYUGZJTSHXHSECS-ASVGJQBISA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,11-diphenylundeca-1,3,8,10-tetraen-6-one
CID 76545225
4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate
CID 146652816
[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
CID 53253335
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate
CID 78960724
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene
CID 11310604
methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate
CID 15532242
methyl (E)-3-oxo-9-phenoxynon-7-enoate
CID 12827967
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
CID 70686302
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
methyl 3-oxo-6-phenylhexanoate
CID 12701554

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate?
The IUPAC name of methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate (CID 146653275) is methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate.
What is the SMILES notation for methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate?
The canonical SMILES for methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate is COC(=O)CC(=O)CCOC/C=C/C=C/c1ccccc1.
What is the InChIKey of methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate?
The InChIKey is YUGZJTSHXHSECS-ASVGJQBISA-N. The full InChI is InChI=1S/C17H20O4/c1-20-17(19)14-16(18)11-13-21-12-7-3-6-10-15-8-4-2-5-9-15/h2-10H,11-14H2,1H3/b7-3+,10-6+.
What are the key properties of methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate?
methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate has a molecular weight of 288.34 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate is sourced from PubChem (CID 146653275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).