3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate
TL;DR: 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate (CAS 33843-20-8) is a chemical compound with molecular formula C14H24O4 and molecular weight 256.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-acetyloxypropan-2-yl)-5-methylhex-4-enyl] acetate
Also Known As: 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate, 3-(acetoxymethyl)-2,6-dimethylhept-5-en-2-yl acetate, [2-(2-acetyloxypropan-2-yl)-5-methylhex-4-enyl] acetate, 6-acetoxy-5-acetoxymethyl-2,6-dimethyl-hept-2-ene, 3-[(ACETYLOXY)METHYL]-2,6-DIMETHYLHEPT-5-EN-2-YL ACETATE
| Molecular Formula | C14H24O4 |
|---|---|
| Molecular Weight | 256.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 256.16745 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 33843-20-8 |
|---|---|
| SMILES | CC(=CCC(COC(=O)C)C(C)(C)OC(=O)C)C |
| InChIKey | XTOSKBKRQCPSIT-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate (CAS 33843-20-8), with molecular formula C14H24O4 and molecular weight 256.17 g/mol. IUPAC: [2-(2-acetyloxypropan-2-yl)-5-methylhex-4-enyl] acetate.
Chemical Property Profile of 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate
Property Insights of 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate has 0 hydrogen bond donor(s) and 4 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 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate?
The CAS number of 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate is 33843-20-8.
What is the molecular formula of 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate?
The molecular formula of 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate is C14H24O4.
What is the molecular weight of 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate?
The molecular weight of 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate is 256.17 g/mol.
Where can I buy 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate?
You can request a quote for 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.