(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate
TL;DR: (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate (CAS 80113-88-8) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl acetate
Also Known As: (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl acetate, (5-isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate, acetic acid,(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methanol
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.8521 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 286.69687 |
Chemical Identifiers
| CAS Number | 80113-88-8 |
|---|---|
| SMILES | CC1=C(C(CC1)C(=C)C)COC(=O)C |
Product Overview
(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate (CAS 80113-88-8), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl acetate.
Chemical Property Profile of (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate
Property Insights of (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate
The XLogP value of 2.8521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate 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 (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate?
The CAS number of (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate is 80113-88-8.
What is the molecular formula of (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate?
The molecular formula of (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate is C12H18O2.
What is the molecular weight of (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate?
The molecular weight of (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate is 194.13 g/mol.
Where can I buy (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate?
You can request a quote for (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.