3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone
TL;DR: 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone (CAS 18523-60-9) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-4-pentan-2-yloxetan-2-one
Also Known As: 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone, 3,3-dimethyl-4-pentan-2-yloxetan-2-one, 2-Oxetanone, 3,3-dimethyl-4-(1-methylbutyl)-, 2-Oxetanone,3,3-dimethyl-4-(1-methylbutyl), 3-Hydroxy-2,2,4-trimethylheptanoic acid beta-lactone
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 18523-60-9 |
|---|---|
| SMILES | CCCC(C)C1C(C(=O)O1)(C)C |
| InChIKey | YQQGTMIMGKGIMY-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone (CAS 18523-60-9), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3,3-dimethyl-4-pentan-2-yloxetan-2-one.
Chemical Property Profile of 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone
Property Insights of 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone
The XLogP value of 3.0 indicates that 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone 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 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone?
The CAS number of 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone is 18523-60-9.
What is the molecular formula of 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone?
The molecular formula of 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone is C10H18O2.
What is the molecular weight of 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone?
The molecular weight of 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone is 170.13 g/mol.
Where can I buy 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone?
You can request a quote for 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-4-(1-methylbutyl)-2-oxetanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.