(E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene
TL;DR: (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene (CAS 13073-21-7) is a chemical compound with molecular formula C13H18 and molecular weight 174.14085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-but-1-en-3-ynyl]-1,3,3-trimethylcyclohexene
Also Known As: (E)-BUTEN-3-YNYL-2,6,6-TRIMETHYL-1-CYCLOHEXENE, 2-[(E)-but-1-en-3-ynyl]-1,3,3-trimethylcyclohexene, (E)-2-(BUT-1-EN-3-YN-1-YL)-1,3,3-TRIMETHYLCYCLOHEX-1-ENE, J1.090.526E, J2.920.012B
Technical Specifications
| Molecular Formula | C13H18 |
| Molecular Weight | 174.14085 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.14085 Da |
| Heavy Atoms | 13 |
| Complexity | 291.0 |
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C#C |
| InChIKey | FYASLQYJBYEUET-RMKNXTFCSA-N |
Chemical Property Profile of (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene
Property Insights of (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene
The XLogP value of 3.6 indicates that (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene 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 (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene?
The CAS number of (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene is 13073-21-7.
What is the molecular formula of (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene?
The molecular formula of (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene is C13H18.
What is the molecular weight of (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene?
The molecular weight of (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene is 174.14085 g/mol.
Where can I buy (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene?
You can request a quote for (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene?
Yes, CoreyChem provides custom synthesis services for (E)-Buten-3-ynyl-2,6,6-trimethyl-1-cyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.