ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate

C18H24O2 — CID 142405628

IUPACethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate
SMILESCCCCCc1ccccc1/C=C/C=C/C(=O)OCC
InChIInChI=1S/C18H24O2/c1-3-5-6-11-16-12-7-8-13-17(16)14-9-10-15-18(19)20-4-2/h7-10,12-15H,3-6,11H2,1-2H3/b14-9+,15-10+
InChIKeyJHSQNFFFGZCJSL-AOEKMSOUSA-N
MW272.39 g/mol
LogP4.55
Rot. Bonds8

About ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate

ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate (PubChem CID 142405628) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate
PubChem CID142405628
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Nameethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate
SMILESCCCCCc1ccccc1/C=C/C=C/C(=O)OCC
InChIInChI=1S/C18H24O2/c1-3-5-6-11-16-12-7-8-13-17(16)14-9-10-15-18(19)20-4-2/h7-10,12-15H,3-6,11H2,1-2H3/b14-9+,15-10+
InChIKeyJHSQNFFFGZCJSL-AOEKMSOUSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid
CID 135262732
methyl 3-(2-dodecylphenyl)prop-2-enoate
CID 54457299
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
(E)-3-(2-pentylphenyl)prop-2-enal
CID 22717371
tert-butyl 3-(2-dodecylphenyl)prop-2-enoate
CID 54421954
ethyl (Z)-3-[2-(3-oxobutyl)phenyl]prop-2-enoate
CID 101402562
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
methyl 3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]propanoate
CID 102577172
ethyl 3-[2-(2-methoxy-2-oxoethyl)phenyl]prop-2-enoate
CID 169480754

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate (CID 142405628) is ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate is CCCCCc1ccccc1/C=C/C=C/C(=O)OCC.
What is the InChIKey of ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate?
The InChIKey is JHSQNFFFGZCJSL-AOEKMSOUSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-5-6-11-16-12-7-8-13-17(16)14-9-10-15-18(19)20-4-2/h7-10,12-15H,3-6,11H2,1-2H3/b14-9+,15-10+.
What are the key properties of ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate?
ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate has a molecular weight of 272.39 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate is sourced from PubChem (CID 142405628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).