2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide
TL;DR: 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide (CAS 67674-35-5) 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.
6,6-dimethyl-3-propan-2-yloxan-2-one
Also Known As: 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide, 6,6-dimethyl-3-propan-2-yloxan-2-one, 2H-Pyran-2-one, tetrahydro-6,6-dimethyl-3-(1-methylethyl)-, Tetrahydro-6,6-dimethyl-3-(1-methylethyl)-2H-pyran-2-one, 6,6-dimethyl-3-(propan-2-yl)oxan-2-one
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 67674-35-5 |
|---|---|
| SMILES | CC(C)C1CCC(OC1=O)(C)C |
| InChIKey | FWUVBKJRLSFCQW-UHFFFAOYSA-N |
Product Overview
2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide (CAS 67674-35-5), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 6,6-dimethyl-3-propan-2-yloxan-2-one.
Chemical Property Profile of 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide
Property Insights of 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide 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-(Isopropyl)-5,5-dimethyl-1,5-pentanolide?
The CAS number of 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide is 67674-35-5.
What is the molecular formula of 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide?
The molecular formula of 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide is C10H18O2.
What is the molecular weight of 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide?
The molecular weight of 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide is 170.13 g/mol.
Where can I buy 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide?
You can request a quote for 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropyl)-5,5-dimethyl-1,5-pentanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.