2,2-dimethyl-6-furfurylidene-cyclohexanone
TL;DR: 2,2-dimethyl-6-furfurylidene-cyclohexanone (CAS 17429-54-8) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-ylmethylidene)-2,2-dimethylcyclohexan-1-one
Also Known As: 2,2-dimethyl-6-furfurylidene-cyclohexanone, 6-(Furan-2-ylmethylidene)-2,2-dimethylcyclohexan-1-one, Cyclohexanone, 6-furfurylidene-2,2-dimethyl-, 6-[(furan-2-yl)methylidene]-2,2-dimethylcyclohexan-1-one, RefChem:317575
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 17429-54-8 |
|---|---|
| SMILES | CC1(CCCC(=CC2=CC=CO2)C1=O)C |
| InChIKey | UJMQPWYFRVJMLG-UHFFFAOYSA-N |
Product Overview
2,2-dimethyl-6-furfurylidene-cyclohexanone (CAS 17429-54-8), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 6-(furan-2-ylmethylidene)-2,2-dimethylcyclohexan-1-one.
Chemical Property Profile of 2,2-dimethyl-6-furfurylidene-cyclohexanone
Property Insights of 2,2-dimethyl-6-furfurylidene-cyclohexanone
The XLogP value of 3.0 indicates that 2,2-dimethyl-6-furfurylidene-cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.2 Ų, 2,2-dimethyl-6-furfurylidene-cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-6-furfurylidene-cyclohexanone has 0 hydrogen bond donor(s) and 2 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-dimethyl-6-furfurylidene-cyclohexanone?
The CAS number of 2,2-dimethyl-6-furfurylidene-cyclohexanone is 17429-54-8.
What is the molecular formula of 2,2-dimethyl-6-furfurylidene-cyclohexanone?
The molecular formula of 2,2-dimethyl-6-furfurylidene-cyclohexanone is C13H16O2.
What is the molecular weight of 2,2-dimethyl-6-furfurylidene-cyclohexanone?
The molecular weight of 2,2-dimethyl-6-furfurylidene-cyclohexanone is 204.12 g/mol.
Where can I buy 2,2-dimethyl-6-furfurylidene-cyclohexanone?
You can request a quote for 2,2-dimethyl-6-furfurylidene-cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-6-furfurylidene-cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-6-furfurylidene-cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.