1,3-Cyclopentadiene, 1-(1-methylethyl)
TL;DR: 1,3-Cyclopentadiene, 1-(1-methylethyl) (CAS 35272-19-6) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-ylcyclopenta-1,3-diene
Also Known As: iso-propylcyclopentadiene, 1-isopropylcyclopenta-1,3-diene, 1,3-Cyclopentadiene, 1-(1-methylethyl), isopropylcyclopentadiene, isopropylcyclopenta-diene
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 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 | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 35272-19-6 |
|---|---|
| SMILES | CC(C)C1=CC=CC1 |
| InChIKey | MWQKURVBJZAOSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclopentadiene, 1-(1-methylethyl) (CAS 35272-19-6), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 1-propan-2-ylcyclopenta-1,3-diene.
Chemical Property Profile of 1,3-Cyclopentadiene, 1-(1-methylethyl)
Property Insights of 1,3-Cyclopentadiene, 1-(1-methylethyl)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclopentadiene, 1-(1-methylethyl). With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Cyclopentadiene, 1-(1-methylethyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclopentadiene, 1-(1-methylethyl) 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, 1-(1-methylethyl)?
The CAS number of 1,3-Cyclopentadiene, 1-(1-methylethyl) is 35272-19-6.
What is the molecular formula of 1,3-Cyclopentadiene, 1-(1-methylethyl)?
The molecular formula of 1,3-Cyclopentadiene, 1-(1-methylethyl) is C8H12.
What is the molecular weight of 1,3-Cyclopentadiene, 1-(1-methylethyl)?
The molecular weight of 1,3-Cyclopentadiene, 1-(1-methylethyl) is 108.09 g/mol.
Where can I buy 1,3-Cyclopentadiene, 1-(1-methylethyl)?
You can request a quote for 1,3-Cyclopentadiene, 1-(1-methylethyl) 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, 1-(1-methylethyl)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclopentadiene, 1-(1-methylethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.