3,6-Dimethyl-3-heptanol
TL;DR: 3,6-Dimethyl-3-heptanol (CAS 1573-28-0) is a chemical compound with molecular formula C9H20O and molecular weight 144.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-dimethylheptan-3-ol
Also Known As: 3,6-DIMETHYL-3-HEPTANOL, 3,6-Dimethylheptan-3-ol, 3-Heptanol, 3,6-dimethyl-, 3-Heptanol,3,6-dimethyl-, Methyl-aethyl-isopentyl-carbinol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H20O |
| Molecular Weight | 144.15141 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.15141 Da |
| Heavy Atoms | 10 |
| Complexity | 88.0 |
| SMILES | CCC(C)(CCC(C)C)O |
| InChIKey | HVPGGLNDHUWMLS-UHFFFAOYSA-N |
Chemical Property Profile of 3,6-Dimethyl-3-heptanol
Property Insights of 3,6-Dimethyl-3-heptanol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethyl-3-heptanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,6-Dimethyl-3-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-3-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 3,6-Dimethyl-3-heptanol?
The CAS number of 3,6-Dimethyl-3-heptanol is 1573-28-0.
What is the molecular formula of 3,6-Dimethyl-3-heptanol?
The molecular formula of 3,6-Dimethyl-3-heptanol is C9H20O.
What is the molecular weight of 3,6-Dimethyl-3-heptanol?
The molecular weight of 3,6-Dimethyl-3-heptanol is 144.15141 g/mol.
Where can I buy 3,6-Dimethyl-3-heptanol?
You can request a quote for 3,6-Dimethyl-3-heptanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6-Dimethyl-3-heptanol?
Yes, CoreyChem provides custom synthesis services for 3,6-Dimethyl-3-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.