Diisopentyl carbonate
TL;DR: Diisopentyl carbonate (CAS 2050-95-5) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methylbutyl) carbonate
Also Known As: Diisopentyl carbonate, bis(3-methylbutyl) carbonate, diisopentylcarbonate, Di-iso-amyl carbonate, diisoamyl carbonate
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 2050-95-5 |
|---|---|
| SMILES | CC(C)CCOC(=O)OCCC(C)C |
| InChIKey | DWWPOAYNAWHBKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopentyl carbonate (CAS 2050-95-5), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: bis(3-methylbutyl) carbonate.
Chemical Property Profile of Diisopentyl carbonate
Property Insights of Diisopentyl carbonate
The XLogP value of 3.9 indicates that Diisopentyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Diisopentyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopentyl carbonate has 0 hydrogen bond donor(s) and 3 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 Diisopentyl carbonate?
The CAS number of Diisopentyl carbonate is 2050-95-5.
What is the molecular formula of Diisopentyl carbonate?
The molecular formula of Diisopentyl carbonate is C11H22O3.
What is the molecular weight of Diisopentyl carbonate?
The molecular weight of Diisopentyl carbonate is 202.16 g/mol.
Where can I buy Diisopentyl carbonate?
You can request a quote for Diisopentyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopentyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Diisopentyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.