Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester
TL;DR: Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester (CAS 87753-77-3) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3,3-dimethyl-4-methylidenecyclopentane-1-carboxylate
Also Known As: tert-Butyl 3,3-dimethyl-4-methylenecyclopentanecarboxylate, tert-Butyl 3,3-dimethyl-4-methylenecyclopentanecarboxylate #, tert-butyl 3,3-dimethyl-4-methylidenecyclopentane-1-carboxylate, Cyclopentanecarboxylicacid,3,3-dimethyl-4-methylene-,1,1-dimethylethylester, Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 87753-77-3 |
|---|---|
| SMILES | CC1(CC(CC1=C)C(=O)OC(C)(C)C)C |
| InChIKey | HXHQUDBAHDZJDP-UHFFFAOYSA-N |
Product Overview
Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester (CAS 87753-77-3), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: tert-butyl 3,3-dimethyl-4-methylidenecyclopentane-1-carboxylate.
Chemical Property Profile of Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester
Property Insights of Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester
The XLogP value of 3.1 indicates that Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester has 0 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 Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester?
The CAS number of Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester is 87753-77-3.
What is the molecular formula of Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester?
The molecular formula of Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester is C13H22O2.
What is the molecular weight of Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester?
The molecular weight of Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester is 210.16 g/mol.
Where can I buy Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester?
You can request a quote for Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarboxylic acid, 3,3-dimethyl-4-methylene-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.