2,5-Dimethyloctahydropentalene
TL;DR: 2,5-Dimethyloctahydropentalene (CAS 28588-55-8) is a chemical compound with molecular formula C10H18 and molecular weight 138.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
Also Known As: 2,5-Dimethyloctahydropentalene, Octahydro-2,5-dimethylpentalene, 2,5-dimethyl-octahydropentalene, Pentalene, octahydro-2,5-dimethyl-, 2,5-Dimethyloctahydropentalene #
| Molecular Formula | C10H18 |
|---|---|
| Molecular Weight | 138.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.14085 |
| Heavy Atoms | 10 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 28588-55-8 |
|---|---|
| SMILES | CC1CC2CC(CC2C1)C |
| InChIKey | SQRZZYQFRGXZID-UHFFFAOYSA-N |
Product Overview
2,5-Dimethyloctahydropentalene (CAS 28588-55-8), with molecular formula C10H18 and molecular weight 138.14 g/mol. IUPAC: 2,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene.
Chemical Property Profile of 2,5-Dimethyloctahydropentalene
Property Insights of 2,5-Dimethyloctahydropentalene
The XLogP value of 4.0 indicates that 2,5-Dimethyloctahydropentalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,5-Dimethyloctahydropentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyloctahydropentalene 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 2,5-Dimethyloctahydropentalene?
The CAS number of 2,5-Dimethyloctahydropentalene is 28588-55-8.
What is the molecular formula of 2,5-Dimethyloctahydropentalene?
The molecular formula of 2,5-Dimethyloctahydropentalene is C10H18.
What is the molecular weight of 2,5-Dimethyloctahydropentalene?
The molecular weight of 2,5-Dimethyloctahydropentalene is 138.14 g/mol.
Where can I buy 2,5-Dimethyloctahydropentalene?
You can request a quote for 2,5-Dimethyloctahydropentalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyloctahydropentalene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyloctahydropentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.