2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone
TL;DR: 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone (CAS 72008-46-9) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one
Also Known As: 4-Oxodihydro-b-ionone, 3-Oxo-7,8-dihydro-.beta.-ionol, 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone, 2,4,4-trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one, 2,4,4-Trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-one
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 72008-46-9 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C)CCC(=O)C |
| InChIKey | QUHPCHDTFDSTTL-UHFFFAOYSA-N |
Product Overview
2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone (CAS 72008-46-9), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 2,4,4-trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one.
Chemical Property Profile of 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone
Property Insights of 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone. With a topological polar surface area (TPSA) of 34.1 Ų, 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone 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
Frequently Asked Questions
What is the CAS number of 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone?
The CAS number of 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone is 72008-46-9.
What is the molecular formula of 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone?
The molecular formula of 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone is C13H20O2.
What is the molecular weight of 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone?
The molecular weight of 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone is 208.15 g/mol.
Where can I buy 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone?
You can request a quote for 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.