3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one
TL;DR: 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one (CAS 64635-08-1) is a chemical compound with molecular formula C14H24O and molecular weight 208.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
Also Known As: dihydromethylionone, EINECS 264-982-4, 3-methyl-4- butan-2-one, 3-pyridin-4-yl-1H-benzo[f]indazole, 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one
| Molecular Formula | C14H24O |
|---|---|
| Molecular Weight | 208.18 g/mol |
| LogP | 3.9841 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.18271 |
| Heavy Atoms | 15 |
| Complexity | 273.0633 |
Chemical Identifiers
| CAS Number | 64635-08-1 |
|---|---|
| SMILES | CC1=CCCC(C1CC(C)C(=O)C)(C)C |
Product Overview
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one (CAS 64635-08-1), with molecular formula C14H24O and molecular weight 208.18 g/mol. IUPAC: 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one.
Chemical Property Profile of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one
Property Insights of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one
The XLogP value of 3.9841 indicates that 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-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 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one?
The CAS number of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one is 64635-08-1.
What is the molecular formula of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one?
The molecular formula of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one is C14H24O.
What is the molecular weight of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one?
The molecular weight of 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one is 208.18 g/mol.
Where can I buy 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one?
You can request a quote for 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.