4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-
TL;DR: 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- (CAS 54775-01-8) is a chemical compound with molecular formula C12H26O and molecular weight 186.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-4-propan-2-ylheptan-4-ol
Also Known As: 2,6-Dimethyl-4- -4-heptanol, 4-isopropyl-2,6-dimethylheptan-4-ol, 4-Isopropyl-2,6-dimethyl-4-heptanol, 2,6-dimethyl-4-isopropyl-heptan-4-ol, 4-isopropyl-2,6-dimethyl-heptan-4-ol
| Molecular Formula | C12H26O |
|---|---|
| Molecular Weight | 186.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.19836 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 54775-01-8 |
|---|---|
| SMILES | CC(C)CC(CC(C)C)(C(C)C)O |
| InChIKey | MRVUYQAVPDEPRD-UHFFFAOYSA-N |
Product Overview
4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- (CAS 54775-01-8), with molecular formula C12H26O and molecular weight 186.20 g/mol. IUPAC: 2,6-dimethyl-4-propan-2-ylheptan-4-ol.
Chemical Property Profile of 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-
Property Insights of 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-
The XLogP value of 4.1 indicates that 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- 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-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- 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-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-?
The CAS number of 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- is 54775-01-8.
What is the molecular formula of 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-?
The molecular formula of 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- is C12H26O.
What is the molecular weight of 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-?
The molecular weight of 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- is 186.20 g/mol.
Where can I buy 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-?
You can request a quote for 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.