Methyl isopropyl carbonate
TL;DR: Methyl isopropyl carbonate (CAS 51729-83-0) is a chemical compound with molecular formula C5H10O3 and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl propan-2-yl carbonate
Also Known As: METHYL ISOPROPYL CARBONATE, methyl propan-2-yl carbonate, isopropyl methyl carbonate, METHYLISOPROPYLCARBONATE, (Isopropyloxy)(methoxy) ketone
| Molecular Formula | C5H10O3 |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | 1.1778 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.062996 |
| Heavy Atoms | 8 |
| Complexity | 77.742966 |
Chemical Identifiers
| CAS Number | 51729-83-0 |
|---|---|
| SMILES | CC(C)OC(=O)OC |
Product Overview
Methyl isopropyl carbonate (CAS 51729-83-0), with molecular formula C5H10O3 and molecular weight 118.06 g/mol. IUPAC: methyl propan-2-yl carbonate.
Chemical Property Profile of Methyl isopropyl carbonate
Property Insights of Methyl isopropyl carbonate
The XLogP value of 1.1778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl isopropyl carbonate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl isopropyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl isopropyl 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 Methyl isopropyl carbonate?
The CAS number of Methyl isopropyl carbonate is 51729-83-0.
What is the molecular formula of Methyl isopropyl carbonate?
The molecular formula of Methyl isopropyl carbonate is C5H10O3.
What is the molecular weight of Methyl isopropyl carbonate?
The molecular weight of Methyl isopropyl carbonate is 118.06 g/mol.
Where can I buy Methyl isopropyl carbonate?
You can request a quote for Methyl isopropyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl isopropyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl isopropyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.