4-Ethyl-2,6-dimethyl-4-heptanol
TL;DR: 4-Ethyl-2,6-dimethyl-4-heptanol (CAS 54460-99-0) is a chemical compound with molecular formula C11H24O and molecular weight 172.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2,6-dimethylheptan-4-ol
Also Known As: 4-Ethyl-2,6-dimethyl-4-heptanol, 4-ethyl-2,6-dimethylheptan-4-ol, 4-Heptanol, 4-ethyl-2,6-dimethyl-, 2,6-dimethyl-4-ethyl-4-heptanol, 4-ethyl-2,6-dimethyl-heptan-4-ol
| Molecular Formula | C11H24O |
|---|---|
| Molecular Weight | 172.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.18271 |
| Heavy Atoms | 12 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 54460-99-0 |
|---|---|
| SMILES | CCC(CC(C)C)(CC(C)C)O |
| InChIKey | FHFITCYHABMGHH-UHFFFAOYSA-N |
Product Overview
4-Ethyl-2,6-dimethyl-4-heptanol (CAS 54460-99-0), with molecular formula C11H24O and molecular weight 172.18 g/mol. IUPAC: 4-ethyl-2,6-dimethylheptan-4-ol.
Chemical Property Profile of 4-Ethyl-2,6-dimethyl-4-heptanol
Property Insights of 4-Ethyl-2,6-dimethyl-4-heptanol
The XLogP value of 3.7 indicates that 4-Ethyl-2,6-dimethyl-4-heptanol 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-Ethyl-2,6-dimethyl-4-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2,6-dimethyl-4-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
Frequently Asked Questions
What is the CAS number of 4-Ethyl-2,6-dimethyl-4-heptanol?
The CAS number of 4-Ethyl-2,6-dimethyl-4-heptanol is 54460-99-0.
What is the molecular formula of 4-Ethyl-2,6-dimethyl-4-heptanol?
The molecular formula of 4-Ethyl-2,6-dimethyl-4-heptanol is C11H24O.
What is the molecular weight of 4-Ethyl-2,6-dimethyl-4-heptanol?
The molecular weight of 4-Ethyl-2,6-dimethyl-4-heptanol is 172.18 g/mol.
Where can I buy 4-Ethyl-2,6-dimethyl-4-heptanol?
You can request a quote for 4-Ethyl-2,6-dimethyl-4-heptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-2,6-dimethyl-4-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-2,6-dimethyl-4-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.