2-Ethylhex-2-enyl acetate
TL;DR: 2-Ethylhex-2-enyl acetate (CAS 53735-55-0) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhex-2-enyl acetate
Also Known As: 2-ethylhex-2-enyl acetate, 2-ethylhex-2-en-1-yl acetate, [(Z)-2-ethylhex-2-enyl] acetate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 53735-55-0 |
|---|---|
| SMILES | CCCC=C(CC)COC(=O)C |
| InChIKey | MUSLRNLXBQWGCV-UHFFFAOYSA-N |
Product Overview
2-Ethylhex-2-enyl acetate (CAS 53735-55-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 2-ethylhex-2-enyl acetate.
Chemical Property Profile of 2-Ethylhex-2-enyl acetate
Property Insights of 2-Ethylhex-2-enyl acetate
The XLogP value of 3.0 indicates that 2-Ethylhex-2-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, 2-Ethylhex-2-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhex-2-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 2-Ethylhex-2-enyl acetate?
The CAS number of 2-Ethylhex-2-enyl acetate is 53735-55-0.
What is the molecular formula of 2-Ethylhex-2-enyl acetate?
The molecular formula of 2-Ethylhex-2-enyl acetate is C10H18O2.
What is the molecular weight of 2-Ethylhex-2-enyl acetate?
The molecular weight of 2-Ethylhex-2-enyl acetate is 170.13 g/mol.
Where can I buy 2-Ethylhex-2-enyl acetate?
You can request a quote for 2-Ethylhex-2-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhex-2-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhex-2-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.