5-Methyl-2-heptanol
TL;DR: 5-Methyl-2-heptanol (CAS 54630-50-1) is a chemical compound with molecular formula C8H18O and molecular weight 130.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylheptan-2-ol
Also Known As: 5-methylheptan-2-ol, 5-METHYL-2-HEPTANOL, 2-Heptanol, 5-methyl-, 5-methyl-heptan-2-ol, FYMBAYNKBWGEIK-UHFFFAOYSA-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18O |
| Molecular Weight | 130.13577 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.13577 Da |
| Heavy Atoms | 9 |
| Complexity | 61.0 |
| SMILES | CCC(C)CCC(C)O |
| InChIKey | FYMBAYNKBWGEIK-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-2-heptanol
Property Insights of 5-Methyl-2-heptanol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-heptanol. With a topological polar surface area (TPSA) of 20.2 Ų, 5-Methyl-2-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-heptanol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Methyl-2-heptanol?
The CAS number of 5-Methyl-2-heptanol is 54630-50-1.
What is the molecular formula of 5-Methyl-2-heptanol?
The molecular formula of 5-Methyl-2-heptanol is C8H18O.
What is the molecular weight of 5-Methyl-2-heptanol?
The molecular weight of 5-Methyl-2-heptanol is 130.13577 g/mol.
Where can I buy 5-Methyl-2-heptanol?
You can request a quote for 5-Methyl-2-heptanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-2-heptanol?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-2-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.