(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid

C16H20O2 — CID 135262732

IUPAC(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid
SMILESCCCCCc1ccccc1/C=C/C=C/C(=O)O
InChIInChI=1S/C16H20O2/c1-2-3-4-9-14-10-5-6-11-15(14)12-7-8-13-16(17)18/h5-8,10-13H,2-4,9H2,1H3,(H,17,18)/b12-7+,13-8+
InChIKeyVSQLNNZUCMIQNF-INOXDZRUSA-N
MW244.33 g/mol
LogP4.07
Rot. Bonds7

About (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid

(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid (PubChem CID 135262732) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid
PubChem CID135262732
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid
SMILESCCCCCc1ccccc1/C=C/C=C/C(=O)O
InChIInChI=1S/C16H20O2/c1-2-3-4-9-14-10-5-6-11-15(14)12-7-8-13-16(17)18/h5-8,10-13H,2-4,9H2,1H3,(H,17,18)/b12-7+,13-8+
InChIKeyVSQLNNZUCMIQNF-INOXDZRUSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-5-(2-pentylphenyl)penta-2,4-dienoate
CID 142405628
(E)-3-(2-pentylphenyl)prop-2-enal
CID 22717371
methyl 3-(2-dodecylphenyl)prop-2-enoate
CID 54457299
1-pentadecyl-2-[(E)-pent-1-enyl]benzene
CID 21273097
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
tert-butyl 3-(2-dodecylphenyl)prop-2-enoate
CID 54421954
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
(E)-3-[2-(4,6-dihydroxynonyl)phenyl]prop-2-enoic acid
CID 142769412

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid (CID 135262732) is (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid is CCCCCc1ccccc1/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid?
The InChIKey is VSQLNNZUCMIQNF-INOXDZRUSA-N. The full InChI is InChI=1S/C16H20O2/c1-2-3-4-9-14-10-5-6-11-15(14)12-7-8-13-16(17)18/h5-8,10-13H,2-4,9H2,1H3,(H,17,18)/b12-7+,13-8+.
What are the key properties of (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid?
(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid has a molecular weight of 244.33 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 135262732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).