3-(Tert-butyl)cyclopentanone
TL;DR: 3-(Tert-butyl)cyclopentanone (CAS 55810-12-3) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylcyclopentan-1-one
Also Known As: 3-(TERT-BUTYL)CYCLOPENTANONE, 3-tert-butylcyclopentan-1-one, 2-pent-1-enylfuran, 4-t-butylcyclopentanone, 3-tert-Butyl-cyclopentanone
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 55810-12-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC(=O)C1 |
| InChIKey | YNZLLBXTQLRISL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Tert-butyl)cyclopentanone (CAS 55810-12-3), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 3-tert-butylcyclopentan-1-one.
Chemical Property Profile of 3-(Tert-butyl)cyclopentanone
Property Insights of 3-(Tert-butyl)cyclopentanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Tert-butyl)cyclopentanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(Tert-butyl)cyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-butyl)cyclopentanone 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-(Tert-butyl)cyclopentanone?
The CAS number of 3-(Tert-butyl)cyclopentanone is 55810-12-3.
What is the molecular formula of 3-(Tert-butyl)cyclopentanone?
The molecular formula of 3-(Tert-butyl)cyclopentanone is C9H16O.
What is the molecular weight of 3-(Tert-butyl)cyclopentanone?
The molecular weight of 3-(Tert-butyl)cyclopentanone is 140.12 g/mol.
Where can I buy 3-(Tert-butyl)cyclopentanone?
You can request a quote for 3-(Tert-butyl)cyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Tert-butyl)cyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butyl)cyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.