3-(Neopentyloxy)-1-cyclohexene
TL;DR: 3-(Neopentyloxy)-1-cyclohexene (CAS 54965-85-4) 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-(2,2-dimethylpropoxy)cyclohexene
Also Known As: 3-Neopentyloxycyclohexene, 3-(Neopentyloxy)-1-cyclohexene, 3-(2,2-dimethylpropoxy)cyclohexene, 3-(Neopentyloxy)-1-cyclohexene #, 3-(2,2-dimethylpropoxy)cyclohex-1-ene
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 54965-85-4 |
|---|---|
| SMILES | CC(C)(C)COC1CCCC=C1 |
| InChIKey | JNXNRLOWPYSNAY-UHFFFAOYSA-N |
Product Overview
3-(Neopentyloxy)-1-cyclohexene (CAS 54965-85-4), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 3-(2,2-dimethylpropoxy)cyclohexene.
Chemical Property Profile of 3-(Neopentyloxy)-1-cyclohexene
Property Insights of 3-(Neopentyloxy)-1-cyclohexene
The XLogP value of 3.2 indicates that 3-(Neopentyloxy)-1-cyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-(Neopentyloxy)-1-cyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Neopentyloxy)-1-cyclohexene 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-(Neopentyloxy)-1-cyclohexene?
The CAS number of 3-(Neopentyloxy)-1-cyclohexene is 54965-85-4.
What is the molecular formula of 3-(Neopentyloxy)-1-cyclohexene?
The molecular formula of 3-(Neopentyloxy)-1-cyclohexene is C11H20O.
What is the molecular weight of 3-(Neopentyloxy)-1-cyclohexene?
The molecular weight of 3-(Neopentyloxy)-1-cyclohexene is 168.15 g/mol.
Where can I buy 3-(Neopentyloxy)-1-cyclohexene?
You can request a quote for 3-(Neopentyloxy)-1-cyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Neopentyloxy)-1-cyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Neopentyloxy)-1-cyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.