1-Isopropenyl-4-methylhex-5-enyl acetate
TL;DR: 1-Isopropenyl-4-methylhex-5-enyl acetate (CAS 61382-99-8) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylocta-1,7-dien-3-yl acetate
Also Known As: 1-Isopropenyl-4-methylhex-5-enyl acetate, 2,6-dimethylocta-1,7-dien-3-yl acetate, EINECS 262-754-9, 2,6-Dimethyl-1,7-octadien-3-ol acetate, 2,6-Dimethyl-1,7-octadien-3-ol,acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 61382-99-8 |
|---|---|
| SMILES | CC(CCC(C(=C)C)OC(=O)C)C=C |
| InChIKey | ATOCHKMVAHBPNF-UHFFFAOYSA-N |
Product Overview
1-Isopropenyl-4-methylhex-5-enyl acetate (CAS 61382-99-8), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 2,6-dimethylocta-1,7-dien-3-yl acetate.
Chemical Property Profile of 1-Isopropenyl-4-methylhex-5-enyl acetate
Property Insights of 1-Isopropenyl-4-methylhex-5-enyl acetate
The XLogP value of 3.6 indicates that 1-Isopropenyl-4-methylhex-5-enyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Isopropenyl-4-methylhex-5-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropenyl-4-methylhex-5-enyl 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 1-Isopropenyl-4-methylhex-5-enyl acetate?
The CAS number of 1-Isopropenyl-4-methylhex-5-enyl acetate is 61382-99-8.
What is the molecular formula of 1-Isopropenyl-4-methylhex-5-enyl acetate?
The molecular formula of 1-Isopropenyl-4-methylhex-5-enyl acetate is C12H20O2.
What is the molecular weight of 1-Isopropenyl-4-methylhex-5-enyl acetate?
The molecular weight of 1-Isopropenyl-4-methylhex-5-enyl acetate is 196.15 g/mol.
Where can I buy 1-Isopropenyl-4-methylhex-5-enyl acetate?
You can request a quote for 1-Isopropenyl-4-methylhex-5-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isopropenyl-4-methylhex-5-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropenyl-4-methylhex-5-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.