3-Ethyl-2-methyl-2-heptanol
TL;DR: 3-Ethyl-2-methyl-2-heptanol (CAS 19780-59-7) is a chemical compound with molecular formula C10H22O and molecular weight 158.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methylheptan-2-ol
Also Known As: 3-Ethyl-2-methyl-2-heptanol, 3-ethyl-2-methylheptan-2-ol, Dimethyl 3-heptyl carbinol, 2-Heptanol, 3-ethyl-2-methyl-, 3-ethyl-2-methyl-heptan-2-ol
| Molecular Formula | C10H22O |
|---|---|
| Molecular Weight | 158.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.16707 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 19780-59-7 |
|---|---|
| SMILES | CCCCC(CC)C(C)(C)O |
| InChIKey | IDMQBLFACWMOGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-2-methyl-2-heptanol (CAS 19780-59-7), with molecular formula C10H22O and molecular weight 158.17 g/mol. IUPAC: 3-ethyl-2-methylheptan-2-ol.
Chemical Property Profile of 3-Ethyl-2-methyl-2-heptanol
Property Insights of 3-Ethyl-2-methyl-2-heptanol
The XLogP value of 3.3 indicates that 3-Ethyl-2-methyl-2-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, 3-Ethyl-2-methyl-2-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-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
Frequently Asked Questions
What is the CAS number of 3-Ethyl-2-methyl-2-heptanol?
The CAS number of 3-Ethyl-2-methyl-2-heptanol is 19780-59-7.
What is the molecular formula of 3-Ethyl-2-methyl-2-heptanol?
The molecular formula of 3-Ethyl-2-methyl-2-heptanol is C10H22O.
What is the molecular weight of 3-Ethyl-2-methyl-2-heptanol?
The molecular weight of 3-Ethyl-2-methyl-2-heptanol is 158.17 g/mol.
Where can I buy 3-Ethyl-2-methyl-2-heptanol?
You can request a quote for 3-Ethyl-2-methyl-2-heptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-methyl-2-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-methyl-2-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.