3,7-Dimethylocta-2,6-dienyl 2-phenylacetate
TL;DR: 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate (CAS 102-22-7) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienyl 2-phenylacetate
Also Known As: Geranyl phenylacetate, Phenylacetic acid, geranyl ester, 3,7-dimethylocta-2,6-dienyl 2-phenylacetate, (Z)-3,7-Dimethylocta-2,6-dienyl phenylacetate, [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
| Molecular Formula | C18H24O2 |
|---|---|
| Molecular Weight | 272.18 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.17764 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 102-22-7 |
|---|---|
| SMILES | CC(=CCCC(=CCOC(=O)CC1=CC=CC=C1)C)C |
| InChIKey | UXAIJXIHZDZMSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylocta-2,6-dienyl 2-phenylacetate (CAS 102-22-7), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl 2-phenylacetate.
Chemical Property Profile of 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate
Property Insights of 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate
The XLogP value of 5.1 indicates that 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate?
The CAS number of 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate is 102-22-7.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate?
The molecular formula of 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate is C18H24O2.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate?
The molecular weight of 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate is 272.18 g/mol.
Where can I buy 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate?
You can request a quote for 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-2,6-dienyl 2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.