![3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one structure](/static/products/7550/75508-80-4.webp)
3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one
TL;DR: 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one (CAS 75508-80-4) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,8-trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one
Also Known As: 3,3,8-trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 75508-80-4 |
|---|---|
| SMILES | CC1(C(=O)OC2(O1)C=CC(C=C2)(C)[N+](=O)[O-])C |
| InChIKey | MBYLKEOTDWNNLU-UHFFFAOYSA-N |
Product Overview
3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one (CAS 75508-80-4), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: 3,3,8-trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one.
Chemical Property Profile of 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one
Property Insights of 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one. Following Lipinski's Rule of Five, 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one has 0 hydrogen bond donor(s) and 5 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 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one?
The CAS number of 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one is 75508-80-4.
What is the molecular formula of 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one?
The molecular formula of 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one is C11H13NO5.
What is the molecular weight of 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one?
The molecular weight of 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one is 239.08 g/mol.
Where can I buy 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one?
You can request a quote for 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3,8-Trimethyl-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.