2(3H)-Benzofuranone, 3-ethylhexahydro-
TL;DR: 2(3H)-Benzofuranone, 3-ethylhexahydro- (CAS 54491-17-7) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
Also Known As: 2(3H)-Benzofuranone, 3-ethylhexahydro-, 3-Ethylhexahydro-3H-benzofuran-2-one, 3-Ethylhexahydro-2(3H)-benzofuranone, 3-Ethylhexahydrobenzofuran-2(3H)-one, 3-ethyl-hexahydro-benzofuran-2-one
Technical Specifications
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
| SMILES | CCC1C2CCCCC2OC1=O |
| InChIKey | WUEULGLRESFOFL-UHFFFAOYSA-N |
Chemical Property Profile of 2(3H)-Benzofuranone, 3-ethylhexahydro-
Property Insights of 2(3H)-Benzofuranone, 3-ethylhexahydro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzofuranone, 3-ethylhexahydro-. With a topological polar surface area (TPSA) of 26.3 Ų, 2(3H)-Benzofuranone, 3-ethylhexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzofuranone, 3-ethylhexahydro- has 0 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(3H)-Benzofuranone, 3-ethylhexahydro-?
The CAS number of 2(3H)-Benzofuranone, 3-ethylhexahydro- is 54491-17-7.
What is the molecular formula of 2(3H)-Benzofuranone, 3-ethylhexahydro-?
The molecular formula of 2(3H)-Benzofuranone, 3-ethylhexahydro- is C10H16O2.
What is the molecular weight of 2(3H)-Benzofuranone, 3-ethylhexahydro-?
The molecular weight of 2(3H)-Benzofuranone, 3-ethylhexahydro- is 168.11504 g/mol.
Where can I buy 2(3H)-Benzofuranone, 3-ethylhexahydro-?
You can request a quote for 2(3H)-Benzofuranone, 3-ethylhexahydro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2(3H)-Benzofuranone, 3-ethylhexahydro-?
Yes, CoreyChem provides custom synthesis services for 2(3H)-Benzofuranone, 3-ethylhexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.