4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone
TL;DR: 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone (CAS 87-45-6) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-one
Also Known As: Pentione, 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone, 4-(2-Methyl-5-isopropenyl-1-cyclopenten-1-yl)-2-butanone, 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-one, 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone [MI]
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.6582 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 283.6107 |
Chemical Identifiers
| CAS Number | 87-45-6 |
|---|---|
| SMILES | CC1=C(C(CC1)C(=C)C)CCC(=O)C |
Product Overview
4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone (CAS 87-45-6), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-one.
Chemical Property Profile of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone
Property Insights of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone
The XLogP value of 3.6582 indicates that 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone 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 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone?
The CAS number of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone is 87-45-6.
What is the molecular formula of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone?
The molecular formula of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone is C13H20O.
What is the molecular weight of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone?
The molecular weight of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone is 192.15 g/mol.
Where can I buy 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone?
You can request a quote for 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.