1,3-Cyclopentadiene, 5,5-dimethyl-
TL;DR: 1,3-Cyclopentadiene, 5,5-dimethyl- (CAS 4125-18-2) is a chemical compound with molecular formula C7H10 and molecular weight 94.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethylcyclopenta-1,3-diene
Also Known As: 1,3-Cyclopentadiene, 5,5-dimethyl-, 5,5-Dimethylcyclopentadiene, dimethylcyclopentadiene, 5,5-dimethylcyclopenta-1,3-diene, 5,5-Dimethyl-1,3-cyclopentadiene
| Molecular Formula | C7H10 |
|---|---|
| Molecular Weight | 94.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 94.07825 |
| Heavy Atoms | 7 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 4125-18-2 |
|---|---|
| SMILES | CC1(C=CC=C1)C |
| InChIKey | QWJWPDHACGGABF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclopentadiene, 5,5-dimethyl- (CAS 4125-18-2), with molecular formula C7H10 and molecular weight 94.08 g/mol. IUPAC: 5,5-dimethylcyclopenta-1,3-diene.
Chemical Property Profile of 1,3-Cyclopentadiene, 5,5-dimethyl-
Property Insights of 1,3-Cyclopentadiene, 5,5-dimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclopentadiene, 5,5-dimethyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Cyclopentadiene, 5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclopentadiene, 5,5-dimethyl- 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-Cyclopentadiene, 5,5-dimethyl-?
The CAS number of 1,3-Cyclopentadiene, 5,5-dimethyl- is 4125-18-2.
What is the molecular formula of 1,3-Cyclopentadiene, 5,5-dimethyl-?
The molecular formula of 1,3-Cyclopentadiene, 5,5-dimethyl- is C7H10.
What is the molecular weight of 1,3-Cyclopentadiene, 5,5-dimethyl-?
The molecular weight of 1,3-Cyclopentadiene, 5,5-dimethyl- is 94.08 g/mol.
Where can I buy 1,3-Cyclopentadiene, 5,5-dimethyl-?
You can request a quote for 1,3-Cyclopentadiene, 5,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclopentadiene, 5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclopentadiene, 5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.