4,4-Dimethoxycyclohexan-1-one
TL;DR: 4,4-Dimethoxycyclohexan-1-one (CAS 56180-50-8) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxycyclohexan-1-one
Also Known As: 4,4-dimethoxycyclohexan-1-one, 4,4-Dimethoxycyclohexanone, Cyclohexanone, 4,4-dimethoxy-, Cyclohexanone,4,4-dimethoxy, 4,4-Dimethoxycyclohexanone #
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 56180-50-8 |
|---|---|
| SMILES | COC1(CCC(=O)CC1)OC |
| InChIKey | UOJCLZFJKRTXGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethoxycyclohexan-1-one (CAS 56180-50-8), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 4,4-dimethoxycyclohexan-1-one.
Chemical Property Profile of 4,4-Dimethoxycyclohexan-1-one
Property Insights of 4,4-Dimethoxycyclohexan-1-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethoxycyclohexan-1-one. With a topological polar surface area (TPSA) of 35.5 Ų, 4,4-Dimethoxycyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethoxycyclohexan-1-one has 0 hydrogen bond donor(s) and 3 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 4,4-Dimethoxycyclohexan-1-one?
The CAS number of 4,4-Dimethoxycyclohexan-1-one is 56180-50-8.
What is the molecular formula of 4,4-Dimethoxycyclohexan-1-one?
The molecular formula of 4,4-Dimethoxycyclohexan-1-one is C8H14O3.
What is the molecular weight of 4,4-Dimethoxycyclohexan-1-one?
The molecular weight of 4,4-Dimethoxycyclohexan-1-one is 158.09 g/mol.
Where can I buy 4,4-Dimethoxycyclohexan-1-one?
You can request a quote for 4,4-Dimethoxycyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethoxycyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethoxycyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.