2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone
TL;DR: 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone (CAS 69296-91-9) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-one
Also Known As: Cyclohexanone, 2,3,3-trimethyl-2-(3-methyl-1,3-butadienyl)-, (E)-, 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone, 2,3,3-trimethyl-2-((E)-3-methylbuta-1,3-dienyl)-cyclohexanone, 2,3,3-Trimethyl-2-[ -3-methyl-1,3-butadien-1-yl]cyclohexanone, 2,3,3-Trimethyl-2-[(1E)-3-methyl-1,3-butadienyl]cyclohexanone #
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.9042 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 309.30038 |
Chemical Identifiers
| CAS Number | 69296-91-9 |
|---|---|
| SMILES | CC(=C)/C=C/C1(C(=O)CCCC1(C)C)C |
Product Overview
2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone (CAS 69296-91-9), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 2,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-one.
Chemical Property Profile of 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone
Property Insights of 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone
The XLogP value of 3.9042 indicates that 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone 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 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone?
The CAS number of 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone is 69296-91-9.
What is the molecular formula of 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone?
The molecular formula of 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone is C14H22O.
What is the molecular weight of 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone?
The molecular weight of 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone is 206.17 g/mol.
Where can I buy 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone?
You can request a quote for 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.