ethyl 6-phenylhexa-2,3-dienoate

C14H16O2 — CID 122224690

IUPACethyl 6-phenylhexa-2,3-dienoate
SMILESCCOC(=O)C=C=CCCc1ccccc1
InChIInChI=1S/C14H16O2/c1-2-16-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h3-6,9-10,12H,2,7,11H2,1H3
InChIKeyMSYDAZKXRPEFOO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.89
Rot. Bonds5

About ethyl 6-phenylhexa-2,3-dienoate

ethyl 6-phenylhexa-2,3-dienoate (PubChem CID 122224690) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 6-phenylhexa-2,3-dienoate.

Molecular Properties

Compound Nameethyl 6-phenylhexa-2,3-dienoate
PubChem CID122224690
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl 6-phenylhexa-2,3-dienoate
SMILESCCOC(=O)C=C=CCCc1ccccc1
InChIInChI=1S/C14H16O2/c1-2-16-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h3-6,9-10,12H,2,7,11H2,1H3
InChIKeyMSYDAZKXRPEFOO-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E)-7-phenylhepta-2,4-dienoate
CID 20628704
ethyl 5-hydroxy-5-phenylpenta-2,3-dienoate
CID 102192904
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
ethyl 6-phenylhexa-2,3,5-trienoate
CID 54037447
ethyl 5,5-diphenylpenta-2,3,4-trienoate
CID 25260452
ethyl (E)-9-phenylnon-2-enoate
CID 10753852
ethyl (E,4S,5S)-4,5-dihydroxy-4-methyl-7-phenylhept-2-enoate
CID 11334934
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
benzene;ethyl acetate;3-phenylpropan-1-ol
CID 158644115
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
dibenzyl-(2-ethoxy-2-oxoethylidene)azanium
CID 11315564
ethyl (E)-5-phenyl-2-(trifluoromethyl)pent-2-enoate
CID 143963074

Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenylhexa-2,3-dienoate?
The IUPAC name of ethyl 6-phenylhexa-2,3-dienoate (CID 122224690) is ethyl 6-phenylhexa-2,3-dienoate.
What is the SMILES notation for ethyl 6-phenylhexa-2,3-dienoate?
The canonical SMILES for ethyl 6-phenylhexa-2,3-dienoate is CCOC(=O)C=C=CCCc1ccccc1.
What is the InChIKey of ethyl 6-phenylhexa-2,3-dienoate?
The InChIKey is MSYDAZKXRPEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-16-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h3-6,9-10,12H,2,7,11H2,1H3.
What are the key properties of ethyl 6-phenylhexa-2,3-dienoate?
ethyl 6-phenylhexa-2,3-dienoate has a molecular weight of 216.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenylhexa-2,3-dienoate is sourced from PubChem (CID 122224690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).