2-Oxaspiro(4,5)decan-1-one
TL;DR: 2-Oxaspiro(4,5)decan-1-one (CAS 4420-11-5) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxaspiro[4.5]decan-1-one
Also Known As: 2-Oxaspiro[4.5]decan-1-one, 2-OXASPIRO(4,5)DECAN-1-ONE, 3-oxaspiro[4.5]decan-4-one, 2-Oxaspiro[4.5]decane-1-one, alpha,alpha-Pentamethylen-gamma-butyrolacton
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 4420-11-5 |
|---|---|
| SMILES | C1CCC2(CC1)CCOC2=O |
| InChIKey | VZHLSIACSZGPGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxaspiro(4,5)decan-1-one (CAS 4420-11-5), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 2-oxaspiro[4.5]decan-1-one.
Chemical Property Profile of 2-Oxaspiro(4,5)decan-1-one
Property Insights of 2-Oxaspiro(4,5)decan-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxaspiro(4,5)decan-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Oxaspiro(4,5)decan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxaspiro(4,5)decan-1-one 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-Oxaspiro(4,5)decan-1-one?
The CAS number of 2-Oxaspiro(4,5)decan-1-one is 4420-11-5.
What is the molecular formula of 2-Oxaspiro(4,5)decan-1-one?
The molecular formula of 2-Oxaspiro(4,5)decan-1-one is C9H14O2.
What is the molecular weight of 2-Oxaspiro(4,5)decan-1-one?
The molecular weight of 2-Oxaspiro(4,5)decan-1-one is 154.10 g/mol.
Where can I buy 2-Oxaspiro(4,5)decan-1-one?
You can request a quote for 2-Oxaspiro(4,5)decan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxaspiro(4,5)decan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxaspiro(4,5)decan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.