2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)-
TL;DR: 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- (CAS 71820-50-3) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S)-5-methyl-4-(3-methylbut-2-enyl)cyclohex-2-en-1-one
Also Known As: 4-(3-Methyl-2-butenyl)-5-methyl-2-cyclohexen-1-one, 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-butenyl)-, 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)-, (4R,5S)-5-methyl-4-(3-methylbut-2-enyl)cyclohex-2-en-1-one, RefChem:470867
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.124 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 243.8501 |
Chemical Identifiers
| CAS Number | 71820-50-3 |
|---|---|
| SMILES | C[C@H]1CC(=O)C=C[C@@H]1CC=C(C)C |
Product Overview
2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- (CAS 71820-50-3), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: (4R,5S)-5-methyl-4-(3-methylbut-2-enyl)cyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)-
Property Insights of 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)-
The XLogP value of 3.124 indicates that 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- 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-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- 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-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)-?
The CAS number of 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- is 71820-50-3.
What is the molecular formula of 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)-?
The molecular formula of 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- is C12H18O.
What is the molecular weight of 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)-?
The molecular weight of 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- is 178.14 g/mol.
Where can I buy 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)-?
You can request a quote for 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 5-methyl-4-(3-methyl-2-buten-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.