3-Heptyltetrahydro-2H-pyran-2-one
TL;DR: 3-Heptyltetrahydro-2H-pyran-2-one (CAS 59726-51-1) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-heptyloxan-2-one
Also Known As: 3-heptyloxan-2-one, 3-Heptyltetrahydro-2H-pyran-2-one, n-heptyl-delta-valero lactone, ALPHA-HEPTYL-DELTA-VALEROLACTONE, .ALPHA.-HEPTYL-.DELTA.-VALEROLACTONE
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
| SMILES | CCCCCCCC1CCCOC1=O |
| InChIKey | ZJILLWFVFFEWCR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Heptyltetrahydro-2H-pyran-2-one
Property Insights of 3-Heptyltetrahydro-2H-pyran-2-one
The XLogP value of 4.2 indicates that 3-Heptyltetrahydro-2H-pyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Heptyltetrahydro-2H-pyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptyltetrahydro-2H-pyran-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Heptyltetrahydro-2H-pyran-2-one?
The CAS number of 3-Heptyltetrahydro-2H-pyran-2-one is 59726-51-1.
What is the molecular formula of 3-Heptyltetrahydro-2H-pyran-2-one?
The molecular formula of 3-Heptyltetrahydro-2H-pyran-2-one is C12H22O2.
What is the molecular weight of 3-Heptyltetrahydro-2H-pyran-2-one?
The molecular weight of 3-Heptyltetrahydro-2H-pyran-2-one is 198.16199 g/mol.
Where can I buy 3-Heptyltetrahydro-2H-pyran-2-one?
You can request a quote for 3-Heptyltetrahydro-2H-pyran-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Heptyltetrahydro-2H-pyran-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Heptyltetrahydro-2H-pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.