3,3-Dimethyl-tetrahydro-pyran-2-one
TL;DR: 3,3-Dimethyl-tetrahydro-pyran-2-one (CAS 4855-05-4) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyloxan-2-one
Also Known As: 3,3-Dimethyl-tetrahydro-pyran-2-one, 3,3-dimethyloxan-2-one, 3,3-dimethyltetrahydro-2H-pyran-2-one, Dimethylvalerolacton, Pyranone, tetrahydrodimethyl-
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 4855-05-4 |
|---|---|
| SMILES | CC1(CCCOC1=O)C |
| InChIKey | CJNWCYZELLHABH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethyl-tetrahydro-pyran-2-one (CAS 4855-05-4), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 3,3-dimethyloxan-2-one.
Chemical Property Profile of 3,3-Dimethyl-tetrahydro-pyran-2-one
Property Insights of 3,3-Dimethyl-tetrahydro-pyran-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-tetrahydro-pyran-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3-Dimethyl-tetrahydro-pyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-tetrahydro-pyran-2-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 3,3-Dimethyl-tetrahydro-pyran-2-one?
The CAS number of 3,3-Dimethyl-tetrahydro-pyran-2-one is 4855-05-4.
What is the molecular formula of 3,3-Dimethyl-tetrahydro-pyran-2-one?
The molecular formula of 3,3-Dimethyl-tetrahydro-pyran-2-one is C7H12O2.
What is the molecular weight of 3,3-Dimethyl-tetrahydro-pyran-2-one?
The molecular weight of 3,3-Dimethyl-tetrahydro-pyran-2-one is 128.08 g/mol.
Where can I buy 3,3-Dimethyl-tetrahydro-pyran-2-one?
You can request a quote for 3,3-Dimethyl-tetrahydro-pyran-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-Dimethyl-tetrahydro-pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-tetrahydro-pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.