3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
TL;DR: 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one (CAS 67401-27-8) 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.
3-but-3-enyl-2,4,4-trimethylcyclohex-2-en-1-one
Also Known As: 5,8-Megastigmadienone-4, 5,8-Megastigmadien-4-one, MEGASTIGMA-5,9-DIEN-4-ONE, cis-Megastigma-5,8-diene-4-one, 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 67401-27-8 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C)CCC=C |
| InChIKey | CZQIKCBGQZBANA-UHFFFAOYSA-N |
Product Overview
3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one (CAS 67401-27-8), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 3-but-3-enyl-2,4,4-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
Property Insights of 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
The XLogP value of 3.1 indicates that 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-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, 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-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-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one?
The CAS number of 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one is 67401-27-8.
What is the molecular formula of 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one?
The molecular formula of 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one is C13H20O.
What is the molecular weight of 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one?
The molecular weight of 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one is 192.15 g/mol.
Where can I buy 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one?
You can request a quote for 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.