2,4,4-Trimethylpentane-1,3-diol
TL;DR: 2,4,4-Trimethylpentane-1,3-diol (CAS 109387-36-2) 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.
2,4,4-trimethylpentane-1,3-diol
Also Known As: 2,4,4-trimethylpentane-1,3-diol, G72324
Technical Specifications
| Molecular Formula | C8H18O2 |
| Molecular Weight | 146.13068 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.13068 Da |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
| SMILES | CC(CO)C(C(C)(C)C)O |
| InChIKey | LDKQSAYLQSMHQP-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,4-Trimethylpentane-1,3-diol
Property Insights of 2,4,4-Trimethylpentane-1,3-diol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethylpentane-1,3-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,4,4-Trimethylpentane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethylpentane-1,3-diol 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 2,4,4-Trimethylpentane-1,3-diol?
The CAS number of 2,4,4-Trimethylpentane-1,3-diol is 109387-36-2.
What is the molecular formula of 2,4,4-Trimethylpentane-1,3-diol?
The molecular formula of 2,4,4-Trimethylpentane-1,3-diol is C8H18O2.
What is the molecular weight of 2,4,4-Trimethylpentane-1,3-diol?
The molecular weight of 2,4,4-Trimethylpentane-1,3-diol is 146.13068 g/mol.
Where can I buy 2,4,4-Trimethylpentane-1,3-diol?
You can request a quote for 2,4,4-Trimethylpentane-1,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,4-Trimethylpentane-1,3-diol?
Yes, CoreyChem provides custom synthesis services for 2,4,4-Trimethylpentane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.