6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one
TL;DR: 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one (CAS 77822-42-5) is a chemical compound with molecular formula C14H20O and molecular weight 204.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-6-methyl-6-(3-prop-1-en-2-ylcyclopropen-1-yl)hept-3-en-2-one
Also Known As: 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one, 3-hepten-2-one,6-methyl-6-3-1-cyclopropen-1-yl-, -, 3-Hepten-2-one,6-methyl-6-3- -1-cyclopropen-1-yl-, -, (3E)-6-(3-Isopropenyl-1-cyclopropen-1-yl)-6-methyl-3-hepten-2-one #, (E)-6-methyl-6-(3-prop-1-en-2-ylcyclopropen-1-yl)hept-3-en-2-one
| Molecular Formula | C14H20O |
|---|---|
| Molecular Weight | 204.15 g/mol |
| LogP | 3.6802 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.15141 |
| Heavy Atoms | 15 |
| Complexity | 342.3502 |
Chemical Identifiers
| CAS Number | 77822-42-5 |
|---|---|
| SMILES | CC(=C)C1C=C1C(C)(C)C/C=C/C(=O)C |
Product Overview
6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one (CAS 77822-42-5), with molecular formula C14H20O and molecular weight 204.15 g/mol. IUPAC: (E)-6-methyl-6-(3-prop-1-en-2-ylcyclopropen-1-yl)hept-3-en-2-one.
Chemical Property Profile of 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one
Property Insights of 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one
The XLogP value of 3.6802 indicates that 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one 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 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one?
The CAS number of 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one is 77822-42-5.
What is the molecular formula of 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one?
The molecular formula of 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one is C14H20O.
What is the molecular weight of 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one?
The molecular weight of 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one is 204.15 g/mol.
Where can I buy 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one?
You can request a quote for 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-Isopropenylcycloprop-1-enyl)-6-methylhept-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.