(2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid

C23H30O2 — CID 88701368

IUPAC(2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid
SMILESC/C(=C/C=C(C)/C=C/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H30O2/c1-16(8-12-21(24)25)7-9-17(2)18-10-11-19-20(15-18)23(5,6)14-13-22(19,3)4/h7-12,15H,13-14H2,1-6H3,(H,24,25)/b12-8+,16-7+,17-9-
InChIKeyPQLAGZIEYQKKDY-GLTVKJJJSA-N
MW338.49 g/mol
LogP6.03
Rot. Bonds4

About (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid

(2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid (PubChem CID 88701368) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid
PubChem CID88701368
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name(2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid
SMILESC/C(=C/C=C(C)/C=C/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H30O2/c1-16(8-12-21(24)25)7-9-17(2)18-10-11-19-20(15-18)23(5,6)14-13-22(19,3)4/h7-12,15H,13-14H2,1-6H3,(H,24,25)/b12-8+,16-7+,17-9-
InChIKeyPQLAGZIEYQKKDY-GLTVKJJJSA-N
XLogP6.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.03
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,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-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

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid?
The IUPAC name of (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid (CID 88701368) is (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid.
What is the SMILES notation for (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid?
The canonical SMILES for (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid is C/C(=C/C=C(C)/C=C/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid?
The InChIKey is PQLAGZIEYQKKDY-GLTVKJJJSA-N. The full InChI is InChI=1S/C23H30O2/c1-16(8-12-21(24)25)7-9-17(2)18-10-11-19-20(15-18)23(5,6)14-13-22(19,3)4/h7-12,15H,13-14H2,1-6H3,(H,24,25)/b12-8+,16-7+,17-9-.
What are the key properties of (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid?
(2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid has a molecular weight of 338.49 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid is sourced from PubChem (CID 88701368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).