Mono-tert-butyl carbonate
TL;DR: Mono-tert-butyl carbonate (CAS 51300-90-4) 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.
tert-butyl hydrogen carbonate
Also Known As: tert-Butyl hydrogen carbonate, t-butylbicarbonate, t-butyl bicarbonate, mono-tert-butyl carbonate, t-butoxycarboxylic acid
| Molecular Formula | C5H10O3 |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | 1.4795 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.062996 |
| Heavy Atoms | 8 |
| Complexity | 90.33713 |
Chemical Identifiers
| CAS Number | 51300-90-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)O |
Product Overview
Mono-tert-butyl carbonate (CAS 51300-90-4), with molecular formula C5H10O3 and molecular weight 118.06 g/mol. IUPAC: tert-butyl hydrogen carbonate.
Chemical Property Profile of Mono-tert-butyl carbonate
Property Insights of Mono-tert-butyl carbonate
The XLogP value of 1.4795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mono-tert-butyl carbonate. With a topological polar surface area (TPSA) of 46.53 Ų, Mono-tert-butyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mono-tert-butyl carbonate has 1 hydrogen bond donor(s) and 2 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 Mono-tert-butyl carbonate?
The CAS number of Mono-tert-butyl carbonate is 51300-90-4.
What is the molecular formula of Mono-tert-butyl carbonate?
The molecular formula of Mono-tert-butyl carbonate is C5H10O3.
What is the molecular weight of Mono-tert-butyl carbonate?
The molecular weight of Mono-tert-butyl carbonate is 118.06 g/mol.
Where can I buy Mono-tert-butyl carbonate?
You can request a quote for Mono-tert-butyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono-tert-butyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Mono-tert-butyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.