3,4-Dimethylenecyclopentanone
TL;DR: 3,4-Dimethylenecyclopentanone (CAS 27646-73-7) is a chemical compound with molecular formula C7H8O and molecular weight 108.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylidenecyclopentan-1-one
Also Known As: 3,4-Dimethylenecyclopentanone, 3,4-dimethylidenecyclopentan-1-one, Cyclopentanone, 3,4-bis(methylene)-, 3,4-Dimethylenecyclopentanone #, 3,4-Bis(methylene)cyclopentanone
| Molecular Formula | C7H8O |
|---|---|
| Molecular Weight | 108.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.05752 |
| Heavy Atoms | 8 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 27646-73-7 |
|---|---|
| SMILES | C=C1CC(=O)CC1=C |
| InChIKey | QLTBRYOQIIJWSI-UHFFFAOYSA-N |
Product Overview
3,4-Dimethylenecyclopentanone (CAS 27646-73-7), with molecular formula C7H8O and molecular weight 108.06 g/mol. IUPAC: 3,4-dimethylidenecyclopentan-1-one.
Chemical Property Profile of 3,4-Dimethylenecyclopentanone
Property Insights of 3,4-Dimethylenecyclopentanone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylenecyclopentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4-Dimethylenecyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylenecyclopentanone 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 3,4-Dimethylenecyclopentanone?
The CAS number of 3,4-Dimethylenecyclopentanone is 27646-73-7.
What is the molecular formula of 3,4-Dimethylenecyclopentanone?
The molecular formula of 3,4-Dimethylenecyclopentanone is C7H8O.
What is the molecular weight of 3,4-Dimethylenecyclopentanone?
The molecular weight of 3,4-Dimethylenecyclopentanone is 108.06 g/mol.
Where can I buy 3,4-Dimethylenecyclopentanone?
You can request a quote for 3,4-Dimethylenecyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylenecyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylenecyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.