6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol
TL;DR: 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol (CAS 101917-46-8) is a chemical compound with molecular formula C10H18O5 and molecular weight 218.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol
Also Known As: 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol, 6-(Hydroxymethyl)-2,2-dimethylhexahydro-1,3-benzodioxole-4,6-diol, (3aS,4R,6R,7aR)-6-(Hydroxymethyl)-2,2-dimethylhexahydrobenzo[d][1,3]dioxole-4,6-diol
Technical Specifications
| Molecular Formula | C10H18O5 |
| Molecular Weight | 218.11542 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.11542 Da |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
| SMILES | CC1(OC2CC(CC(C2O1)O)(CO)O)C |
| InChIKey | CZCDWUBGKAXDNN-UHFFFAOYSA-N |
Chemical Property Profile of 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol
Property Insights of 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol
The XLogP value of -1.1 indicates that 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol. Following Lipinski's Rule of Five, 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol?
The CAS number of 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol is 101917-46-8.
What is the molecular formula of 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol?
The molecular formula of 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol is C10H18O5.
What is the molecular weight of 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol?
The molecular weight of 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol is 218.11542 g/mol.
Where can I buy 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol?
You can request a quote for 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol?
Yes, CoreyChem provides custom synthesis services for 6-(hydroxymethyl)-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.