1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)-
TL;DR: 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- (CAS 22833-90-5) is a chemical compound with molecular formula C12H22 and molecular weight 166.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene
Also Known As: 2,2,6,6-tetramethyl-5-methylidenehept-3-ene, 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)-, 2-tert-Butyl-5,5-dimethyl-1,3-hexadiene, 2-tert-butyl-5,5-dimethyl-hexa-1,3-diene, (3E)-2-tert-Butyl-5,5-dimethyl-1,3-hexadiene
| Molecular Formula | C12H22 |
|---|---|
| Molecular Weight | 166.17 g/mol |
| LogP | 4.191 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.17215 |
| Heavy Atoms | 12 |
| Complexity | 181.0643 |
Chemical Identifiers
| CAS Number | 22833-90-5 |
|---|---|
| SMILES | CC(C)(C)/C=C/C(=C)C(C)(C)C |
Product Overview
1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- (CAS 22833-90-5), with molecular formula C12H22 and molecular weight 166.17 g/mol. IUPAC: (E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene.
Chemical Property Profile of 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)-
Property Insights of 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)-
The XLogP value of 4.191 indicates that 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)-?
The CAS number of 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- is 22833-90-5.
What is the molecular formula of 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)-?
The molecular formula of 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- is C12H22.
What is the molecular weight of 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)-?
The molecular weight of 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- is 166.17 g/mol.
Where can I buy 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)-?
You can request a quote for 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Hexadiene, 2-(dimethylethyl)-5,5-dimethyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.