4-(2-phenylethylidene)dec-5-enoic acid

C18H24O2 — CID 71425376

IUPAC4-(2-phenylethylidene)dec-5-enoic acid
SMILESCCCCC=CC(=CCc1ccccc1)CCC(=O)O
InChIInChI=1S/C18H24O2/c1-2-3-4-6-11-17(14-15-18(19)20)13-12-16-9-7-5-8-10-16/h5-11,13H,2-4,12,14-15H2,1H3,(H,19,20)
InChIKeyQSTILZVWXZKMHX-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.77
Rot. Bonds9

About 4-(2-phenylethylidene)dec-5-enoic acid

4-(2-phenylethylidene)dec-5-enoic acid (PubChem CID 71425376) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(2-phenylethylidene)dec-5-enoic acid.

Molecular Properties

Compound Name4-(2-phenylethylidene)dec-5-enoic acid
PubChem CID71425376
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name4-(2-phenylethylidene)dec-5-enoic acid
SMILESCCCCC=CC(=CCc1ccccc1)CCC(=O)O
InChIInChI=1S/C18H24O2/c1-2-3-4-6-11-17(14-15-18(19)20)13-12-16-9-7-5-8-10-16/h5-11,13H,2-4,12,14-15H2,1H3,(H,19,20)
InChIKeyQSTILZVWXZKMHX-UHFFFAOYSA-N
XLogP4.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadec-9-enoic acid;phenylmethanol
CID 67916229
(Z)-octadec-9-enoic acid;phenylmethanamine
CID 56592825
[(E)-oct-2-enyl]benzene
CID 13383320
[(E)-3-methyloct-2-enyl]benzene
CID 12622229
(Z)-octadec-9-enoyl chloride;toluene
CID 175284175
erbium;(Z)-tetradec-9-enoic acid
CID 155169208
(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
CID 5282810
3-propylnona-2,4-dienoic acid
CID 150996965
4-[(E)-dodec-1-enoxy]-4-oxobutanoic acid;phenylmercury
CID 70400786
pentadeca-5,10-dienoic acid
CID 535083
(Z)-5-formyl-4-oxo-7-phenylhept-5-enoic acid
CID 142091767
(E)-1-phenyloct-4-en-3-one
CID 12588926

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylidene)dec-5-enoic acid?
The IUPAC name of 4-(2-phenylethylidene)dec-5-enoic acid (CID 71425376) is 4-(2-phenylethylidene)dec-5-enoic acid.
What is the SMILES notation for 4-(2-phenylethylidene)dec-5-enoic acid?
The canonical SMILES for 4-(2-phenylethylidene)dec-5-enoic acid is CCCCC=CC(=CCc1ccccc1)CCC(=O)O.
What is the InChIKey of 4-(2-phenylethylidene)dec-5-enoic acid?
The InChIKey is QSTILZVWXZKMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-3-4-6-11-17(14-15-18(19)20)13-12-16-9-7-5-8-10-16/h5-11,13H,2-4,12,14-15H2,1H3,(H,19,20).
What are the key properties of 4-(2-phenylethylidene)dec-5-enoic acid?
4-(2-phenylethylidene)dec-5-enoic acid has a molecular weight of 272.39 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylidene)dec-5-enoic acid is sourced from PubChem (CID 71425376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).