1-tert-Butoxy-3-Methylcyclohexene
TL;DR: 1-tert-Butoxy-3-Methylcyclohexene (CAS 40648-24-6) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene
Also Known As: 1-tert-Butoxy-3-Methylcyclohexene, 1- -3-methyl-1-cyclohexene, 1-t-Butoxy-3-methylcyclohexen, 1-tert-Butoxy-3-methylcyclohex-1-ene, 1-(tert-butoxy)-3-methylcyclohex-1-ene
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 40648-24-6 |
|---|---|
| SMILES | CC1CCCC(=C1)OC(C)(C)C |
| InChIKey | LNFFARVHBDBDOX-UHFFFAOYSA-N |
Product Overview
1-tert-Butoxy-3-Methylcyclohexene (CAS 40648-24-6), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 3-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexene.
Chemical Property Profile of 1-tert-Butoxy-3-Methylcyclohexene
Property Insights of 1-tert-Butoxy-3-Methylcyclohexene
The XLogP value of 3.3 indicates that 1-tert-Butoxy-3-Methylcyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-tert-Butoxy-3-Methylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butoxy-3-Methylcyclohexene 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 1-tert-Butoxy-3-Methylcyclohexene?
The CAS number of 1-tert-Butoxy-3-Methylcyclohexene is 40648-24-6.
What is the molecular formula of 1-tert-Butoxy-3-Methylcyclohexene?
The molecular formula of 1-tert-Butoxy-3-Methylcyclohexene is C11H20O.
What is the molecular weight of 1-tert-Butoxy-3-Methylcyclohexene?
The molecular weight of 1-tert-Butoxy-3-Methylcyclohexene is 168.15 g/mol.
Where can I buy 1-tert-Butoxy-3-Methylcyclohexene?
You can request a quote for 1-tert-Butoxy-3-Methylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butoxy-3-Methylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butoxy-3-Methylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.