1,3-Propanediol, 2-isobutyl-2-methyl-
TL;DR: 1,3-Propanediol, 2-isobutyl-2-methyl- (CAS 25462-42-4) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-(2-methylpropyl)propane-1,3-diol
Also Known As: 2-Isobutyl-2-methyl-1,3-propanediol, 1,3-Propanediol, 2-isobutyl-2-methyl-, 2-isobutyl-2-methylpropane-1,3-diol, 2-methyl-2-(2-methylpropyl)propane-1,3-diol, 2,4-Dimethyl-2-hydroxymethyl-pentanol-(1)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18O2 |
| Molecular Weight | 146.13068 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.13068 Da |
| Heavy Atoms | 10 |
| Complexity | 85.0 |
| SMILES | CC(C)CC(C)(CO)CO |
| InChIKey | REQVMPVOKUHDOZ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 2-isobutyl-2-methyl-
Property Insights of 1,3-Propanediol, 2-isobutyl-2-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-isobutyl-2-methyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-isobutyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-isobutyl-2-methyl- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Propanediol, 2-isobutyl-2-methyl-?
The CAS number of 1,3-Propanediol, 2-isobutyl-2-methyl- is 25462-42-4.
What is the molecular formula of 1,3-Propanediol, 2-isobutyl-2-methyl-?
The molecular formula of 1,3-Propanediol, 2-isobutyl-2-methyl- is C8H18O2.
What is the molecular weight of 1,3-Propanediol, 2-isobutyl-2-methyl-?
The molecular weight of 1,3-Propanediol, 2-isobutyl-2-methyl- is 146.13068 g/mol.
Where can I buy 1,3-Propanediol, 2-isobutyl-2-methyl-?
You can request a quote for 1,3-Propanediol, 2-isobutyl-2-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol, 2-isobutyl-2-methyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 2-isobutyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.