![2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- structure](/static/products/753/75332-27-3.png)
2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-
TL;DR: 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- (CAS 75332-27-3) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)butan-2-yl acetate
Also Known As: 3-2,4,4-trimethyl-2-cyclohexen-1-one, 3- -2,4,4-trimethyl-2-cyclohexen-1-one, 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-, 3-(2-Acetyloxybutyl)-2,4,4-trimethyl-2-cyclohexen-1-one, 1-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)butan-2-yl acetate
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 75332-27-3 |
|---|---|
| SMILES | CCC(CC1=C(C(=O)CCC1(C)C)C)OC(=O)C |
| InChIKey | HPAMAFSQIHSUDS-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- (CAS 75332-27-3), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: 1-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)butan-2-yl acetate.
Chemical Property Profile of 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-
Property Insights of 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-?
The CAS number of 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- is 75332-27-3.
What is the molecular formula of 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- is C15H24O3.
What is the molecular weight of 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- is 252.17 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3-[2-(acetyloxy)butyl]-2,4,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.