1,1-Diisobutyl-1-butanol
TL;DR: 1,1-Diisobutyl-1-butanol (CAS 54774-83-3) 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-propylheptan-4-ol
Also Known As: 1,1-Diisobutyl-1-butanol, 2,6-Dimethyl-4-propyl-4-heptanol, 2,6-dimethyl-4-propyl-heptan-4-ol, 2,6-dimethyl-4-propylheptan-4-ol, 4-Heptanol, 2,6-dimethyl-4-propyl-
| 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 | 6 |
| Exact Mass | 186.19836 |
| Heavy Atoms | 13 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 54774-83-3 |
|---|---|
| SMILES | CCCC(CC(C)C)(CC(C)C)O |
| InChIKey | NUBHTZIKPVDNLE-UHFFFAOYSA-N |
Product Overview
1,1-Diisobutyl-1-butanol (CAS 54774-83-3), with molecular formula C12H26O and molecular weight 186.20 g/mol. IUPAC: 2,6-dimethyl-4-propylheptan-4-ol.
Chemical Property Profile of 1,1-Diisobutyl-1-butanol
Property Insights of 1,1-Diisobutyl-1-butanol
The XLogP value of 4.1 indicates that 1,1-Diisobutyl-1-butanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1,1-Diisobutyl-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diisobutyl-1-butanol 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 1,1-Diisobutyl-1-butanol?
The CAS number of 1,1-Diisobutyl-1-butanol is 54774-83-3.
What is the molecular formula of 1,1-Diisobutyl-1-butanol?
The molecular formula of 1,1-Diisobutyl-1-butanol is C12H26O.
What is the molecular weight of 1,1-Diisobutyl-1-butanol?
The molecular weight of 1,1-Diisobutyl-1-butanol is 186.20 g/mol.
Where can I buy 1,1-Diisobutyl-1-butanol?
You can request a quote for 1,1-Diisobutyl-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diisobutyl-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diisobutyl-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.