![2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol structure](/static/products/1259/125949-61-3.webp)
2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol
TL;DR: 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol (CAS 125949-61-3) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,5S,6R,7R)-2,9,9-trimethyltricyclo[5.3.0.02,5]decane-5,6-diol
Also Known As: 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol, Cyclobuta(a)pentalene-6,6a(1H)-diol, octahydro-2a,4,4-trimethyl-, (2aR-(2aalpha,2bbeta,5abeta,6alpha,6aalpha))-, (2aR,2bS,5aR,6R,6aS)-2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol
Technical Specifications
| Molecular Formula | C13H22O2 |
| Molecular Weight | 210.16199 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.16199 Da |
| Heavy Atoms | 15 |
| Complexity | 312.0 |
| SMILES | C[C@]12CC[C@]1([C@@H]([C@H]3[C@@H]2CC(C3)(C)C)O)O |
| InChIKey | IWJBIUMPRYYQQH-IFHCSVGRSA-N |
Chemical Property Profile of 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol
Property Insights of 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-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 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol?
The CAS number of 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol is 125949-61-3.
What is the molecular formula of 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol?
The molecular formula of 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol is C13H22O2.
What is the molecular weight of 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol?
The molecular weight of 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol is 210.16199 g/mol.
Where can I buy 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol?
You can request a quote for 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol?
Yes, CoreyChem provides custom synthesis services for 2a,4,4-Trimethyloctahydrocyclobuta[a]pentalene-6,6a(1H)-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.