(2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid

C15H23NO3 — CID 142409370

IUPAC(2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid
SMILESC=CC(/C=C/C(=O)O)=C(\C=C(C)C)OCCN(C)C
InChIInChI=1S/C15H23NO3/c1-6-13(7-8-15(17)18)14(11-12(2)3)19-10-9-16(4)5/h6-8,11H,1,9-10H2,2-5H3,(H,17,18)/b8-7+,14-13-
InChIKeyNLACIRCCENJWHV-YFGOPRLYSA-N
MW265.35 g/mol
LogP2.61
Rot. Bonds8

About (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid

(2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid (PubChem CID 142409370) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid
PubChem CID142409370
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid
SMILESC=CC(/C=C/C(=O)O)=C(\C=C(C)C)OCCN(C)C
InChIInChI=1S/C15H23NO3/c1-6-13(7-8-15(17)18)14(11-12(2)3)19-10-9-16(4)5/h6-8,11H,1,9-10H2,2-5H3,(H,17,18)/b8-7+,14-13-
InChIKeyNLACIRCCENJWHV-YFGOPRLYSA-N
XLogP2.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic 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

(Z)-but-2-enedioic acid;N,N-dimethyl-2-(propan-2-ylideneamino)oxyethanamine
CID 16641113
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
CID 174984966
CID 174984966
5-[2-(dimethylamino)ethoxycarbonyl]hexa-2,5-dienoic acid
CID 54392979
(Z)-but-2-enedioic acid;2-(dimethylamino)ethyl heptanoate
CID 20841178
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride
CID 174580927
(E)-but-2-enedioic acid;ethenoxyethene
CID 87702747
magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride
CID 174747752
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2,5-dimethyl-4-oxohexa-2,5-dienoate
CID 139703809
2-(dimethylamino)ethyl 2-methylpent-2-enoate
CID 91329578

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid?
The IUPAC name of (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid (CID 142409370) is (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid.
What is the SMILES notation for (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid?
The canonical SMILES for (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid is C=CC(/C=C/C(=O)O)=C(\C=C(C)C)OCCN(C)C.
What is the InChIKey of (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid?
The InChIKey is NLACIRCCENJWHV-YFGOPRLYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-13(7-8-15(17)18)14(11-12(2)3)19-10-9-16(4)5/h6-8,11H,1,9-10H2,2-5H3,(H,17,18)/b8-7+,14-13-.
What are the key properties of (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid?
(2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-[2-(dimethylamino)ethoxy]-4-ethenyl-7-methylocta-2,4,6-trienoic acid is sourced from PubChem (CID 142409370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).