1-Chloro-4,4-dimethyl-2,3-pentadiene
TL;DR: 1-Chloro-4,4-dimethyl-2,3-pentadiene (CAS 65388-53-6) is a chemical compound with molecular formula C7H11Cl and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4,4-dimethylpenta-1,2-diene
Also Known As: (CH3)3CCH=C=CHCl, 1-Chloro-4,4-dimethyl-2,3-pentadiene, 1-chloro-4,4-dimethylpenta-1,2-diene, (R)-1-Chloro-4,4-dimethyl-1,2-pentadiene, J2.850.853K
| Molecular Formula | C7H11Cl |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.05493 |
| Heavy Atoms | 8 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 65388-53-6 |
|---|---|
| SMILES | CC(C)(C)C=C=CCl |
| InChIKey | ONNHATFAOCHMIL-UHFFFAOYSA-N |
Product Overview
1-Chloro-4,4-dimethyl-2,3-pentadiene (CAS 65388-53-6), with molecular formula C7H11Cl and molecular weight 130.05 g/mol. IUPAC: 1-chloro-4,4-dimethylpenta-1,2-diene.
Chemical Property Profile of 1-Chloro-4,4-dimethyl-2,3-pentadiene
Property Insights of 1-Chloro-4,4-dimethyl-2,3-pentadiene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4,4-dimethyl-2,3-pentadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-4,4-dimethyl-2,3-pentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4,4-dimethyl-2,3-pentadiene 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-4,4-dimethyl-2,3-pentadiene?
The CAS number of 1-Chloro-4,4-dimethyl-2,3-pentadiene is 65388-53-6.
What is the molecular formula of 1-Chloro-4,4-dimethyl-2,3-pentadiene?
The molecular formula of 1-Chloro-4,4-dimethyl-2,3-pentadiene is C7H11Cl.
What is the molecular weight of 1-Chloro-4,4-dimethyl-2,3-pentadiene?
The molecular weight of 1-Chloro-4,4-dimethyl-2,3-pentadiene is 130.05 g/mol.
Where can I buy 1-Chloro-4,4-dimethyl-2,3-pentadiene?
You can request a quote for 1-Chloro-4,4-dimethyl-2,3-pentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4,4-dimethyl-2,3-pentadiene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4,4-dimethyl-2,3-pentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.