2-Isopropyl-5-methyl-1-heptanol
TL;DR: 2-Isopropyl-5-methyl-1-heptanol (CAS 91337-07-4) 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.
5-methyl-2-propan-2-ylheptan-1-ol
Also Known As: 2-Isopropyl-5-methyl-1-heptanol, 5-methyl-2-propan-2-ylheptan-1-ol, 2-isopropyl-5-methyl-heptan-1-ol, 5-methyl-2-(propan-2-yl)heptan-1-ol, J1.406.686A
| Molecular Formula | C11H24O |
|---|---|
| Molecular Weight | 172.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.18271 |
| Heavy Atoms | 12 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 91337-07-4 |
|---|---|
| SMILES | CCC(C)CCC(CO)C(C)C |
| InChIKey | QKPITXQYXIOHTB-UHFFFAOYSA-N |
Product Overview
2-Isopropyl-5-methyl-1-heptanol (CAS 91337-07-4), with molecular formula C11H24O and molecular weight 172.18 g/mol. IUPAC: 5-methyl-2-propan-2-ylheptan-1-ol.
Chemical Property Profile of 2-Isopropyl-5-methyl-1-heptanol
Property Insights of 2-Isopropyl-5-methyl-1-heptanol
The XLogP value of 3.9 indicates that 2-Isopropyl-5-methyl-1-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, 2-Isopropyl-5-methyl-1-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-methyl-1-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 2-Isopropyl-5-methyl-1-heptanol?
The CAS number of 2-Isopropyl-5-methyl-1-heptanol is 91337-07-4.
What is the molecular formula of 2-Isopropyl-5-methyl-1-heptanol?
The molecular formula of 2-Isopropyl-5-methyl-1-heptanol is C11H24O.
What is the molecular weight of 2-Isopropyl-5-methyl-1-heptanol?
The molecular weight of 2-Isopropyl-5-methyl-1-heptanol is 172.18 g/mol.
Where can I buy 2-Isopropyl-5-methyl-1-heptanol?
You can request a quote for 2-Isopropyl-5-methyl-1-heptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-methyl-1-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methyl-1-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.