4,5,6,7,7-Pentamethyloctan-3-ol
TL;DR: 4,5,6,7,7-Pentamethyloctan-3-ol (CAS 97752-24-4) is a chemical compound with molecular formula C13H28O and molecular weight 200.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7,7-pentamethyloctan-3-ol
Also Known As: 4,5,6,7,7-Pentamethyloctan-3-ol, 3-octanol, 4,5,6,7,7-pentamethyl-, 4,5,6,7,7-Pentamethyl-3-octanol, , CID113419, 4,5,6,7,7-Pentamethyloctan-3-ol, 97752-24-4, EINECS 307-786-7
| Molecular Formula | C13H28O |
|---|---|
| Molecular Weight | 200.21 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.21402 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 97752-24-4 |
|---|---|
| SMILES | CCC(C(C)C(C)C(C)C(C)(C)C)O |
| InChIKey | QIKQWLYMJZQXFA-UHFFFAOYSA-N |
Product Overview
4,5,6,7,7-Pentamethyloctan-3-ol (CAS 97752-24-4), with molecular formula C13H28O and molecular weight 200.21 g/mol. IUPAC: 4,5,6,7,7-pentamethyloctan-3-ol.
Chemical Property Profile of 4,5,6,7,7-Pentamethyloctan-3-ol
Property Insights of 4,5,6,7,7-Pentamethyloctan-3-ol
The XLogP value of 4.6 indicates that 4,5,6,7,7-Pentamethyloctan-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4,5,6,7,7-Pentamethyloctan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7,7-Pentamethyloctan-3-ol 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 4,5,6,7,7-Pentamethyloctan-3-ol?
The CAS number of 4,5,6,7,7-Pentamethyloctan-3-ol is 97752-24-4.
What is the molecular formula of 4,5,6,7,7-Pentamethyloctan-3-ol?
The molecular formula of 4,5,6,7,7-Pentamethyloctan-3-ol is C13H28O.
What is the molecular weight of 4,5,6,7,7-Pentamethyloctan-3-ol?
The molecular weight of 4,5,6,7,7-Pentamethyloctan-3-ol is 200.21 g/mol.
Where can I buy 4,5,6,7,7-Pentamethyloctan-3-ol?
You can request a quote for 4,5,6,7,7-Pentamethyloctan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7,7-Pentamethyloctan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7,7-Pentamethyloctan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.