双环［3.3.0］辛烷
TL;DR: 双环［3.3.0］辛烷 (CAS 5597-89-7) is a chemical compound with molecular formula C1CC2CCCC2C1 and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双环［3.3.0］辛烷
1,2,3,3a,4,5,6,6a-octahydropentalene
Also Known As: Pentalene, octahydro-, Octahydropentalene, Octahydro-pentalene, perhydropentalene, Bicyclo[3.3.0]octane
| Molecular Formula | C1CC2CCCC2C1 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 5597-89-7 |
|---|---|
| SMILES | C1CC2CCCC2C1 |
| InChIKey | AEBWATHAIVJLTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双环［3.3.0］辛烷 (CAS 5597-89-7), with molecular formula C1CC2CCCC2C1 and molecular weight 110.11 g/mol. IUPAC: 1,2,3,3a,4,5,6,6a-octahydropentalene.
Chemical Property Profile of 双环［3.3.0］辛烷
Property Insights of 双环［3.3.0］辛烷
The XLogP value of 3.5 indicates that 双环［3.3.0］辛烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 双环［3.3.0］辛烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双环［3.3.0］辛烷 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 双环［3.3.0］辛烷?
The CAS number of 双环［3.3.0］辛烷 is 5597-89-7.
What is the molecular formula of 双环［3.3.0］辛烷?
The molecular formula of 双环［3.3.0］辛烷 is C1CC2CCCC2C1.
What is the molecular weight of 双环［3.3.0］辛烷?
The molecular weight of 双环［3.3.0］辛烷 is 110.11 g/mol.
Where can I buy 双环［3.3.0］辛烷?
You can request a quote for 双环［3.3.0］辛烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双环［3.3.0］辛烷?
Yes, KEHONG BIO provides custom synthesis services for 双环［3.3.0］辛烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.