(2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid

C18H22O2 — CID 21348175

IUPAC(2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
SMILESCC(/C=C/C1CC1(C)c1cc(C)cc(C)c1)=C\C(=O)O
InChIInChI=1S/C18H22O2/c1-12(10-17(19)20)5-6-15-11-18(15,4)16-8-13(2)7-14(3)9-16/h5-10,15H,11H2,1-4H3,(H,19,20)/b6-5+,12-10+
InChIKeyNPKXAQGZNXDFPF-VTNGQZISSA-N
MW270.37 g/mol
LogP4.17
Rot. Bonds4

About (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid

(2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid (PubChem CID 21348175) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
PubChem CID21348175
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
SMILESCC(/C=C/C1CC1(C)c1cc(C)cc(C)c1)=C\C(=O)O
InChIInChI=1S/C18H22O2/c1-12(10-17(19)20)5-6-15-11-18(15,4)16-8-13(2)7-14(3)9-16/h5-10,15H,11H2,1-4H3,(H,19,20)/b6-5+,12-10+
InChIKeyNPKXAQGZNXDFPF-VTNGQZISSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.17
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'}

Analyze (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-3-methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
CID 155293178
(2E,4E)-3-methyl-5-[(2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
CID 143447931
5-[(1S,2S)-2-(3,3-dimethyl-7-propan-2-yl-2H-1-benzofuran-5-yl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 91371261
(2E,4E)-5-[2-[7-(2,6-dimethylphenyl)-3,3-dimethyl-2H-1-benzofuran-5-yl]-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 22731333
(2E,4E)-5-[(2S)-2-(1-acetyl-4,4,6-trimethyl-2,3-dihydroquinolin-7-yl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 54126366
(2E,4E)-5-[(1S,2S)-2-[7-(cyclohexylmethyl)-3,3-dimethyl-2H-1-benzofuran-5-yl]-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 10341422
1,3-ditert-butyl-5-[(1S,2S)-1-methyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclopropyl]benzene
CID 59860922
1,3-ditert-butyl-5-[(1S)-1-methyl-2-[(3E)-3-methylpenta-1,3-dienyl]cyclopropyl]benzene
CID 54461340
5-[(1S)-2-[7-(2-heptylphenyl)-3,3-dimethyl-2H-1-benzofuran-5-yl]-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 90930803
(2E,4E)-5-[(3S,4R,6R)-3,4-dihydroxy-2,2,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid
CID 102367642
ethyl (2E,4E)-5-[(1S,2S)-2-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoate
CID 10092175
3-methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)penta-2,4-dienoic acid
CID 75579748

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid (CID 21348175) is (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid is CC(/C=C/C1CC1(C)c1cc(C)cc(C)c1)=C\C(=O)O.
What is the InChIKey of (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid?
The InChIKey is NPKXAQGZNXDFPF-VTNGQZISSA-N. The full InChI is InChI=1S/C18H22O2/c1-12(10-17(19)20)5-6-15-11-18(15,4)16-8-13(2)7-14(3)9-16/h5-10,15H,11H2,1-4H3,(H,19,20)/b6-5+,12-10+.
What are the key properties of (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid?
(2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid has a molecular weight of 270.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid is sourced from PubChem (CID 21348175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).