2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid

C18H22O2 — CID 57130358

IUPAC2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid
SMILESO=C(O)C(=CC=Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C18H22O2/c19-18(20)17(14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H,19,20)
InChIKeyLIKDHEZXSMLURB-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.68
Rot. Bonds5

About 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid

2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid (PubChem CID 57130358) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid
PubChem CID57130358
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid
SMILESO=C(O)C(=CC=Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C18H22O2/c19-18(20)17(14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H,19,20)
InChIKeyLIKDHEZXSMLURB-UHFFFAOYSA-N
XLogP4.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid?
The IUPAC name of 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid (CID 57130358) is 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid?
The canonical SMILES for 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid is O=C(O)C(=CC=Cc1ccccc1)CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid?
The InChIKey is LIKDHEZXSMLURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-18(20)17(14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H,19,20).
What are the key properties of 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid?
2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid has a molecular weight of 270.37 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid is sourced from PubChem (CID 57130358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).