1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
TL;DR: 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- (CAS 514-94-3) is a chemical compound with molecular formula C10H16 and molecular weight 136.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5,5,6-tetramethylcyclohexa-1,3-diene
Also Known As: alpha-Pyronene, .alpha.-Pyronene, 1,5,5,6-tetramethylcyclohexa-1,3-diene, 1,5,5,6-TETRAMETHYL-1,3-CYCLOHEXADIENE, 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16 |
| Molecular Weight | 136.1252 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.1252 Da |
| Heavy Atoms | 10 |
| Complexity | 182.0 |
| SMILES | CC1C(=CC=CC1(C)C)C |
| InChIKey | LKNRSUKTEIJIAS-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- (CAS 514-94-3) is a pharmaceutical intermediate with the molecular formula C10H16 and a molecular weight of 136.13 g/mol. Synonyms include alpha-Pyronene and .alpha.-Pyronene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
Property Insights of 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
The XLogP value of 3.3 indicates that 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- 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-Cyclohexadiene, 1,5,5,6-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- 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
What is the CAS number of 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-?
The CAS number of 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- is 514-94-3.
What is the molecular formula of 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-?
The molecular formula of 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- is C10H16.
What is the molecular weight of 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-?
The molecular weight of 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- is 136.1252 g/mol.
What are the applications of 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-?
1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-?
You can request a quote for 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Cyclohexadiene, 1,5,5,6-tetramethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.