1,1,1-Trichloro-4-methyl-3-penten-2-ol
TL;DR: 1,1,1-Trichloro-4-methyl-3-penten-2-ol (CAS 6111-14-4) is a chemical compound with molecular formula C6H9Cl3O and molecular weight 201.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-4-methylpent-3-en-2-ol
Also Known As: Propyne-d4, 1,1,1-trichloro-4-methylpent-3-en-2-ol, 1,1,1-Trichloro-4-methyl-3-penten-2-ol, 3-Penten-2-ol, 1,1,1-trichloro-4-methyl-, 1,1,1-trichloro-4-methyl-pent-3-en-2-ol
| Molecular Formula | C6H9Cl3O |
|---|---|
| Molecular Weight | 201.97 g/mol |
| LogP | 2.6837 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.9719 |
| Heavy Atoms | 10 |
| Complexity | 132.41858 |
Chemical Identifiers
| CAS Number | 6111-14-4 |
|---|---|
| SMILES | CC(=CC(C(Cl)(Cl)Cl)O)C |
Product Overview
1,1,1-Trichloro-4-methyl-3-penten-2-ol (CAS 6111-14-4), with molecular formula C6H9Cl3O and molecular weight 201.97 g/mol. IUPAC: 1,1,1-trichloro-4-methylpent-3-en-2-ol.
Chemical Property Profile of 1,1,1-Trichloro-4-methyl-3-penten-2-ol
Property Insights of 1,1,1-Trichloro-4-methyl-3-penten-2-ol
The XLogP value of 2.6837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trichloro-4-methyl-3-penten-2-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 1,1,1-Trichloro-4-methyl-3-penten-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloro-4-methyl-3-penten-2-ol has 1 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 1,1,1-Trichloro-4-methyl-3-penten-2-ol?
The CAS number of 1,1,1-Trichloro-4-methyl-3-penten-2-ol is 6111-14-4.
What is the molecular formula of 1,1,1-Trichloro-4-methyl-3-penten-2-ol?
The molecular formula of 1,1,1-Trichloro-4-methyl-3-penten-2-ol is C6H9Cl3O.
What is the molecular weight of 1,1,1-Trichloro-4-methyl-3-penten-2-ol?
The molecular weight of 1,1,1-Trichloro-4-methyl-3-penten-2-ol is 201.97 g/mol.
Where can I buy 1,1,1-Trichloro-4-methyl-3-penten-2-ol?
You can request a quote for 1,1,1-Trichloro-4-methyl-3-penten-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trichloro-4-methyl-3-penten-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloro-4-methyl-3-penten-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.