2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone
TL;DR: 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone (CAS 42347-25-1) 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.
2,2,3,4,6,6-hexamethyl-5-methylidenecyclohex-3-en-1-one
Also Known As: 2,2,3,4,6,6-HEXAMETHYL-5-METHYLENE-CYCLOHEX-3-ENONE, 2,2,3,4,6,6-hexamethyl-5-methylidenecyclohex-3-en-1-one, 2,2,3,4,6,6-hexamethyl-5-methylene-3-cyclohexen-1-one, 2,2,3,4,6,6-hexamethyl-5-methylidene-cyclohex-3-en-1-one, 654-547-0
| 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 | 0 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 340.24707 |
Chemical Identifiers
| CAS Number | 42347-25-1 |
|---|---|
| SMILES | CC1=C(C(C(=O)C(C1=C)(C)C)(C)C)C |
Product Overview
2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone (CAS 42347-25-1), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 2,2,3,4,6,6-hexamethyl-5-methylidenecyclohex-3-en-1-one.
Chemical Property Profile of 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone
Property Insights of 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone
The XLogP value of 3.5141 indicates that 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone 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 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone?
The CAS number of 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone is 42347-25-1.
What is the molecular formula of 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone?
The molecular formula of 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone is C13H20O.
What is the molecular weight of 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone?
The molecular weight of 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone is 192.15 g/mol.
Where can I buy 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone?
You can request a quote for 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,4,6,6-Hexamethyl-5-methylene-cyclohex-3-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.