2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)-
TL;DR: 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- (CAS 19985-79-6) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-ditert-butylcycloprop-2-en-1-one
Also Known As: di-t-butylcyclopropenone, di-tert-butylcyclopropenone, 2,3-ditert-butylcycloprop-2-en-1-one, 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)-, Cyclopropenone, di-tert-butyl-
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 19985-79-6 |
|---|---|
| SMILES | CC(C)(C)C1=C(C1=O)C(C)(C)C |
| InChIKey | NLSBZJJINHYWGM-UHFFFAOYSA-N |
Product Overview
2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- (CAS 19985-79-6), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 2,3-ditert-butylcycloprop-2-en-1-one.
Chemical Property Profile of 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)-
Property Insights of 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)-
The XLogP value of 3.4 indicates that 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 1 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-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)-?
The CAS number of 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- is 19985-79-6.
What is the molecular formula of 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)-?
The molecular formula of 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- is C11H18O.
What is the molecular weight of 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)-?
The molecular weight of 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- is 166.14 g/mol.
Where can I buy 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)-?
You can request a quote for 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclopropen-1-one, 2,3-bis(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.