1,1-Heptanediol, 1,1-diacetate
TL;DR: 1,1-Heptanediol, 1,1-diacetate (CAS 56438-09-6) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetyloxyheptyl acetate
Also Known As: Heptylidene diacetate, 1-acetyloxyheptyl acetate, heptylidenediacetate, 1-(acetyloxy)heptyl acetate, 1, diacetate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.13615 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 Da |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
| SMILES | CCCCCCC(OC(=O)C)OC(=O)C |
| InChIKey | FZWKNDYRQQUQEC-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Heptanediol, 1,1-diacetate
Property Insights of 1,1-Heptanediol, 1,1-diacetate
The XLogP value of 3.0 indicates that 1,1-Heptanediol, 1,1-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,1-Heptanediol, 1,1-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Heptanediol, 1,1-diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1-Heptanediol, 1,1-diacetate?
The CAS number of 1,1-Heptanediol, 1,1-diacetate is 56438-09-6.
What is the molecular formula of 1,1-Heptanediol, 1,1-diacetate?
The molecular formula of 1,1-Heptanediol, 1,1-diacetate is C11H20O4.
What is the molecular weight of 1,1-Heptanediol, 1,1-diacetate?
The molecular weight of 1,1-Heptanediol, 1,1-diacetate is 216.13615 g/mol.
Where can I buy 1,1-Heptanediol, 1,1-diacetate?
You can request a quote for 1,1-Heptanediol, 1,1-diacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Heptanediol, 1,1-diacetate?
Yes, CoreyChem provides custom synthesis services for 1,1-Heptanediol, 1,1-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.