ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate

C15H18O3 — CID 11499739

IUPACethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
SMILESCCOC(=O)/C=C\C=C\COCc1ccccc1
InChIInChI=1S/C15H18O3/c1-2-18-15(16)11-7-4-8-12-17-13-14-9-5-3-6-10-14/h3-11H,2,12-13H2,1H3/b8-4+,11-7-
InChIKeyRVIPXWGIPRSLHV-HYPVGTFXSA-N
MW246.31 g/mol
LogP2.88
Rot. Bonds7

About ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate

ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate (PubChem CID 11499739) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
PubChem CID11499739
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
SMILESCCOC(=O)/C=C\C=C\COCc1ccccc1
InChIInChI=1S/C15H18O3/c1-2-18-15(16)11-7-4-8-12-17-13-14-9-5-3-6-10-14/h3-11H,2,12-13H2,1H3/b8-4+,11-7-
InChIKeyRVIPXWGIPRSLHV-HYPVGTFXSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E)-8-phenylmethoxyocta-2,4-dienoate
CID 11097751
ethyl (2E,6Z)-8-phenylmethoxyocta-2,6-dienoate
CID 10084732
ethyl (E)-4-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]but-2-enoate
CID 171060040
ethyl (2E,4E)-7-phenylhepta-2,4-dienoate
CID 20628704
ethyl 2-oxo-5-phenylmethoxypent-3-enoate
CID 71345997
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410
ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate
CID 11253675
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl (E)-5-hydroxy-7-phenylmethoxyhept-2-enoate
CID 11140421
(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
CID 101487921
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate
CID 168818022

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate?
The IUPAC name of ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate (CID 11499739) is ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate.
What is the SMILES notation for ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate?
The canonical SMILES for ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate is CCOC(=O)/C=C\C=C\COCc1ccccc1.
What is the InChIKey of ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate?
The InChIKey is RVIPXWGIPRSLHV-HYPVGTFXSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-18-15(16)11-7-4-8-12-17-13-14-9-5-3-6-10-14/h3-11H,2,12-13H2,1H3/b8-4+,11-7-.
What are the key properties of ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate?
ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate has a molecular weight of 246.31 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate is sourced from PubChem (CID 11499739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).