![3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- structure](/static/products/6424/64243-41-0.webp)
3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-
TL;DR: 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- (CAS 64243-41-0) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,5-dimethyl-1-oxaspiro[2.5]octan-4-yl)but-3-en-2-one
Also Known As: 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-, 4-(5,5-dimethyl-1-oxaspiro[2.5]octan-4-yl)but-3-en-2-one, Bicyclo[3.1.1]hept-2-en-2-ol,6,6-dimethyl-4-methylene-,acetate,(1S)
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 64243-41-0 |
|---|---|
| SMILES | CC(=O)C=CC1C(CCCC12CO2)(C)C |
| InChIKey | YDBVTKBLLWMVJT-UHFFFAOYSA-N |
Product Overview
3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- (CAS 64243-41-0), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 4-(5,5-dimethyl-1-oxaspiro[2.5]octan-4-yl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-
Property Insights of 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-. With a topological polar surface area (TPSA) of 29.6 Ų, 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- 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 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-?
The CAS number of 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- is 64243-41-0.
What is the molecular formula of 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-?
The molecular formula of 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- is C13H20O2.
What is the molecular weight of 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-?
The molecular weight of 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- is 208.15 g/mol.
Where can I buy 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-?
You can request a quote for 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(5,5-dimethyl-1-oxaspiro[2.5]oct-4-yl)-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.