2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-
TL;DR: 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- (CAS 13837-60-0) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethynyl-2,6,6-trimethyloxane
Also Known As: 2-ethynyl-2,6,6-trimethyloxane, 2-ethynyl-2,6,6-trimethyltetrahydro-2H-pyran, 2-Ethynyltetrahydro-2,6,6-trimethyl-2H-pyran, XSDYMDMXNRPZHU-UHFFFAOYSA-, ZERO/001427
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 13837-60-0 |
|---|---|
| SMILES | CC1(CCCC(O1)(C)C#C)C |
| InChIKey | XSDYMDMXNRPZHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- (CAS 13837-60-0), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 2-ethynyl-2,6,6-trimethyloxane.
Chemical Property Profile of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-
Property Insights of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-. With a topological polar surface area (TPSA) of 9.2 Ų, 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- has 0 hydrogen bond donor(s) and 1 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 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-?
The CAS number of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- is 13837-60-0.
What is the molecular formula of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-?
The molecular formula of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- is C10H16O.
What is the molecular weight of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-?
The molecular weight of 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- is 152.12 g/mol.
Where can I buy 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-?
You can request a quote for 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyran, 2-ethynyltetrahydro-2,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.