Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester
TL;DR: Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester (CAS 10292-81-6) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-2-(2,6-dimethyloxan-4-ylidene)acetate
Also Known As: N-Tetracosanoyl-D-erythro-sphingosin, ethyl 2-cyano-2-(2,6-dimethyloxan-4-ylidene)acetate, Ethyl cyano(2,6-dimethyloxan-4-ylidene)acetate, Ethyl-alpha-cyano-alpha(3,5-dimethyl-4-oxacyclohexylidene)acetate, ACETIC ACID, alpha-CYANO-alpha-(3,5-DIMETHYL-4-OXACYCLOHEXYLIDENE)-, ETHYL ESTER
Technical Specifications
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.12085 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.12085 Da |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
| SMILES | CCOC(=O)C(=C1CC(OC(C1)C)C)C#N |
| InChIKey | ZJUCFKMSYJGSFT-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester
Property Insights of Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester. With a topological polar surface area (TPSA) of 59.3 Ų, Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester?
The CAS number of Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester is 10292-81-6.
What is the molecular formula of Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester?
The molecular formula of Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester is C12H17NO3.
What is the molecular weight of Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester?
The molecular weight of Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester is 223.12085 g/mol.
Where can I buy Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester?
You can request a quote for Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, alpha-cyano-alpha-(3,5-dimethyl-4-oxacyclohexylidene)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.