tert-Butyl ethyl carbonate
TL;DR: tert-Butyl ethyl carbonate (CAS 27945-07-9) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl ethyl carbonate
Also Known As: tert-Butyl ethyl carbonate, t-butyl ethyl carbonate, Carbonic acid tert-butylethyl ester, Carbonic acid, 1,1-dimethylethyl ethyl ester, Carbonic acid, 1,1-dimethylethyl ethyl ester
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 27945-07-9 |
|---|---|
| SMILES | CCOC(=O)OC(C)(C)C |
| InChIKey | FSZKWHBYBSGMJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl ethyl carbonate (CAS 27945-07-9), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: tert-butyl ethyl carbonate.
Chemical Property Profile of tert-Butyl ethyl carbonate
Property Insights of tert-Butyl ethyl carbonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl ethyl carbonate. With a topological polar surface area (TPSA) of 35.5 Ų, tert-Butyl ethyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl ethyl 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 tert-Butyl ethyl carbonate?
The CAS number of tert-Butyl ethyl carbonate is 27945-07-9.
What is the molecular formula of tert-Butyl ethyl carbonate?
The molecular formula of tert-Butyl ethyl carbonate is C7H14O3.
What is the molecular weight of tert-Butyl ethyl carbonate?
The molecular weight of tert-Butyl ethyl carbonate is 146.09 g/mol.
Where can I buy tert-Butyl ethyl carbonate?
You can request a quote for tert-Butyl ethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl ethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl ethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.