3-Isobutoxycyclohex-2-en-1-one
TL;DR: 3-Isobutoxycyclohex-2-en-1-one (CAS 23074-59-1) 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-(2-methylpropoxy)cyclohex-2-en-1-one
Also Known As: 3-Isobutoxycyclohex-2-en-1-one, 3-(2-methylpropoxy)cyclohex-2-en-1-one, 3-Isobutoxy-2-cyclohexenone, 3-Isobutoxycyclohex-2-enone, 4-(Hydroxymethyl)benzonitrile
Technical Specifications
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| SMILES | CC(C)COC1=CC(=O)CCC1 |
| InChIKey | FKJAZODXPHIGOL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isobutoxycyclohex-2-en-1-one
Property Insights of 3-Isobutoxycyclohex-2-en-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isobutoxycyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Isobutoxycyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isobutoxycyclohex-2-en-1-one 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 3-Isobutoxycyclohex-2-en-1-one?
The CAS number of 3-Isobutoxycyclohex-2-en-1-one is 23074-59-1.
What is the molecular formula of 3-Isobutoxycyclohex-2-en-1-one?
The molecular formula of 3-Isobutoxycyclohex-2-en-1-one is C10H16O2.
What is the molecular weight of 3-Isobutoxycyclohex-2-en-1-one?
The molecular weight of 3-Isobutoxycyclohex-2-en-1-one is 168.11504 g/mol.
Where can I buy 3-Isobutoxycyclohex-2-en-1-one?
You can request a quote for 3-Isobutoxycyclohex-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isobutoxycyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-Isobutoxycyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.