5,5-Dimethyl-2-hexanol
TL;DR: 5,5-Dimethyl-2-hexanol (CAS 31841-77-7) is a chemical compound with molecular formula C8H18O and molecular weight 130.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethylhexan-2-ol
Also Known As: 5,5-dimethyl-2-hexanol, 5,5-dimethylhexan-2-ol, 2-Hexanol, 5,5-dimethyl-, 1,4,4-trimethylpentanol, RefChem:298360
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 31841-77-7 |
|---|---|
| SMILES | CC(CCC(C)(C)C)O |
| InChIKey | NMSUCVXVCHZTEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Dimethyl-2-hexanol (CAS 31841-77-7), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 5,5-dimethylhexan-2-ol.
Chemical Property Profile of 5,5-Dimethyl-2-hexanol
Property Insights of 5,5-Dimethyl-2-hexanol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-hexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 5,5-Dimethyl-2-hexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-hexanol 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
Frequently Asked Questions
What is the CAS number of 5,5-Dimethyl-2-hexanol?
The CAS number of 5,5-Dimethyl-2-hexanol is 31841-77-7.
What is the molecular formula of 5,5-Dimethyl-2-hexanol?
The molecular formula of 5,5-Dimethyl-2-hexanol is C8H18O.
What is the molecular weight of 5,5-Dimethyl-2-hexanol?
The molecular weight of 5,5-Dimethyl-2-hexanol is 130.14 g/mol.
Where can I buy 5,5-Dimethyl-2-hexanol?
You can request a quote for 5,5-Dimethyl-2-hexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-2-hexanol?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.