![(E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one structure](/static/products/79-/79-77-6.png)
(E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one
TL;DR: (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one (CAS 79-77-6) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one
Also Known As: b-ionone, trans-beta-Ionone, (E)-beta-Ionone, beta-Ionone (trans), 3-(Aminomethyl)cyclohexylamine
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.5141 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 281.6107 |
Chemical Identifiers
| CAS Number | 79-77-6 |
|---|---|
| SMILES | C[C@@H]1CCC=C(C1(C)C)/C=C/C(=O)C |
Product Overview
(E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one (CAS 79-77-6), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one.
Chemical Property Profile of (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one
Property Insights of (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one
The XLogP value of 3.5141 indicates that (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-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, (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-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 (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one?
The CAS number of (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one is 79-77-6.
What is the molecular formula of (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one?
The molecular formula of (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one is C13H20O.
What is the molecular weight of (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one?
The molecular weight of (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one is 192.15 g/mol.
Where can I buy (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one?
You can request a quote for (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[(5R)-5,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.