1-Pentyne, 3-methyl-3-(1-methylethoxy)-
TL;DR: 1-Pentyne, 3-methyl-3-(1-methylethoxy)- (CAS 53966-55-5) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-propan-2-yloxypent-1-yne
Also Known As: 3-Methyl-3- -1-pentyne, 3-isopropoxy-3-methylpent-1-yne, 3-Isopropoxy-3-methyl-1-pentyne, 3-Isopropoxy-3-methyl-1-pentyne #, 3-Methyl-3-(1-methylethoxy)-1-pentyne
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 53966-55-5 |
|---|---|
| SMILES | CCC(C)(C#C)OC(C)C |
| InChIKey | VLAPKSNRTYKYLF-UHFFFAOYSA-N |
Product Overview
1-Pentyne, 3-methyl-3-(1-methylethoxy)- (CAS 53966-55-5), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 3-methyl-3-propan-2-yloxypent-1-yne.
Chemical Property Profile of 1-Pentyne, 3-methyl-3-(1-methylethoxy)-
Property Insights of 1-Pentyne, 3-methyl-3-(1-methylethoxy)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentyne, 3-methyl-3-(1-methylethoxy)-. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Pentyne, 3-methyl-3-(1-methylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentyne, 3-methyl-3-(1-methylethoxy)- 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 1-Pentyne, 3-methyl-3-(1-methylethoxy)-?
The CAS number of 1-Pentyne, 3-methyl-3-(1-methylethoxy)- is 53966-55-5.
What is the molecular formula of 1-Pentyne, 3-methyl-3-(1-methylethoxy)-?
The molecular formula of 1-Pentyne, 3-methyl-3-(1-methylethoxy)- is C9H16O.
What is the molecular weight of 1-Pentyne, 3-methyl-3-(1-methylethoxy)-?
The molecular weight of 1-Pentyne, 3-methyl-3-(1-methylethoxy)- is 140.12 g/mol.
Where can I buy 1-Pentyne, 3-methyl-3-(1-methylethoxy)-?
You can request a quote for 1-Pentyne, 3-methyl-3-(1-methylethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentyne, 3-methyl-3-(1-methylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentyne, 3-methyl-3-(1-methylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.