1-Chloro-2,2-dimethylpropane
TL;DR: 1-Chloro-2,2-dimethylpropane (CAS 753-89-9) is a chemical compound with molecular formula C5H11Cl and molecular weight 106.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,2-dimethylpropane
Also Known As: 1-Chloro-2,2-dimethylpropane, Neopentyl chloride, neo-Pentylchloride, Propane, 1-chloro-2,2-dimethyl-, t-C4H9CH2Cl
| Molecular Formula | C5H11Cl |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 106.05493 |
| Heavy Atoms | 6 |
| Complexity | 33.0 |
Chemical Identifiers
| CAS Number | 753-89-9 |
|---|---|
| SMILES | CC(C)(C)CCl |
| InChIKey | JEKYMVBQWWZVHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2,2-dimethylpropane (CAS 753-89-9), with molecular formula C5H11Cl and molecular weight 106.05 g/mol. IUPAC: 1-chloro-2,2-dimethylpropane.
Chemical Property Profile of 1-Chloro-2,2-dimethylpropane
Property Insights of 1-Chloro-2,2-dimethylpropane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2,2-dimethylpropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-2,2-dimethylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,2-dimethylpropane has 0 hydrogen bond donor(s) and 0 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-Chloro-2,2-dimethylpropane?
The CAS number of 1-Chloro-2,2-dimethylpropane is 753-89-9.
What is the molecular formula of 1-Chloro-2,2-dimethylpropane?
The molecular formula of 1-Chloro-2,2-dimethylpropane is C5H11Cl.
What is the molecular weight of 1-Chloro-2,2-dimethylpropane?
The molecular weight of 1-Chloro-2,2-dimethylpropane is 106.05 g/mol.
Where can I buy 1-Chloro-2,2-dimethylpropane?
You can request a quote for 1-Chloro-2,2-dimethylpropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2,2-dimethylpropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,2-dimethylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.