TL;DR: 7-(4,4-Dimethyl-2,3-dihydrochromen-6-yl)-3-methylocta-2,4,6-trienoic acid (CAS 108695-25-6) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-3-methylocta-2,4,6-trienoic acid
Also Known As: 2,4,6-Octatrienoicacid, 7-(3,4-dihydro-4,4-dimethyl-2H-1-benzopyran-6-yl)-3-methyl-, (2E,4E,6E)-, (2E,4E,6E)-3,7-Dimethyl-7-(1,2,3,4-tetrahydro-4,4-dimethylchroman-6-yl)-2,4,6-heptatrienoic, (E,E,E)-7-(3,4-Dihydro-4,4-dimethyl-2H-1-benzopyran-6-yl)-3-methyl-2,4,6-octatrienoic acid, 2,4,6-Octatrienoic acid, 7-(3,4-dihydro-4,4-dimethyl-2H-1-benzopyran-6-yl)-3-methyl-, (E,E,E)-
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.17255 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.17255 Da |
| Heavy Atoms | 23 |
| Complexity | 525.0 |
| SMILES | CC(=CC(=O)O)C=CC=C(C)C1=CC2=C(C=C1)OCCC2(C)C |
| InChIKey | NNROJUAWMZCOPE-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 7-(4,4-Dimethyl-2,3-dihydrochromen-6-yl)-3-methylocta-2,4,6-trienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 7-(4,4-Dimethyl-2,3-dihydrochromen-6-yl)-3-methylocta-2,4,6-trienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(4,4-Dimethyl-2,3-dihydrochromen-6-yl)-3-methylocta-2,4,6-trienoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7-(4,4-Dimethyl-2,3-dihydrochromen-6-yl)-3-methylocta-2,4,6-trienoic acid is 108695-25-6.
The molecular formula of 7-(4,4-Dimethyl-2,3-dihydrochromen-6-yl)-3-methylocta-2,4,6-trienoic acid is C20H24O3.
The molecular weight of 7-(4,4-Dimethyl-2,3-dihydrochromen-6-yl)-3-methylocta-2,4,6-trienoic acid is 312.17255 g/mol.
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