4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
TL;DR: 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one (CAS 68459-99-4) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Also Known As: 4-methyl-1- pent-1-en-3-one, 1-Penten-3-one, 4-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 68459-99-4 |
|---|---|
| SMILES | CC1=CCCC(C1C=CC(=O)C(C)C)(C)C |
| InChIKey | BFKQQVWLWQKHFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one (CAS 68459-99-4), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: 4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one.
Chemical Property Profile of 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Property Insights of 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
The XLogP value of 4.0 indicates that 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one has 0 hydrogen bond donor(s) and 1 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 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one?
The CAS number of 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one is 68459-99-4.
What is the molecular formula of 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one?
The molecular formula of 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one is C15H24O.
What is the molecular weight of 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one?
The molecular weight of 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one is 220.18 g/mol.
Where can I buy 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one?
You can request a quote for 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.