1,3-Dimethylallene
TL;DR: 1,3-Dimethylallene (CAS 591-96-8) is a chemical compound with molecular formula CC=C=CC and molecular weight 68.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
penta-2,3-diene
Also Known As: 2,3-Pentadiene, penta-2,3-diene, 1,3-Dimethylallene, sym-Dimethylallene, 2,3-pentadien
| Molecular Formula | CC=C=CC |
|---|---|
| Molecular Weight | 68.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 68.0626 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 591-96-8 |
|---|---|
| SMILES | CC=C=CC |
| InChIKey | PODAMDNJNMAKAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethylallene (CAS 591-96-8), with molecular formula CC=C=CC and molecular weight 68.06 g/mol. IUPAC: penta-2,3-diene.
Chemical Property Profile of 1,3-Dimethylallene
Property Insights of 1,3-Dimethylallene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylallene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dimethylallene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylallene 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 1,3-Dimethylallene?
The CAS number of 1,3-Dimethylallene is 591-96-8.
What is the molecular formula of 1,3-Dimethylallene?
The molecular formula of 1,3-Dimethylallene is CC=C=CC.
What is the molecular weight of 1,3-Dimethylallene?
The molecular weight of 1,3-Dimethylallene is 68.06 g/mol.
Where can I buy 1,3-Dimethylallene?
You can request a quote for 1,3-Dimethylallene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylallene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylallene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.