1,3-Dimethylbutyl 2-butenoate
TL;DR: 1,3-Dimethylbutyl 2-butenoate (CAS 35206-51-0) 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.
4-methylpentan-2-yl but-2-enoate
Also Known As: DAMASCIA, 1,3-Dimethylbutyl 2-butenoate, 4-methylpentan-2-yl but-2-enoate, 4-methylpentan-2-yl (E)-but-2-enoate, 252-438-9
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 35206-51-0 |
|---|---|
| SMILES | CC=CC(=O)OC(C)CC(C)C |
| InChIKey | VCLJLOIXTASTGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethylbutyl 2-butenoate (CAS 35206-51-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 4-methylpentan-2-yl but-2-enoate.
Chemical Property Profile of 1,3-Dimethylbutyl 2-butenoate
Property Insights of 1,3-Dimethylbutyl 2-butenoate
The XLogP value of 3.1 indicates that 1,3-Dimethylbutyl 2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,3-Dimethylbutyl 2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylbutyl 2-butenoate 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 1,3-Dimethylbutyl 2-butenoate?
The CAS number of 1,3-Dimethylbutyl 2-butenoate is 35206-51-0.
What is the molecular formula of 1,3-Dimethylbutyl 2-butenoate?
The molecular formula of 1,3-Dimethylbutyl 2-butenoate is C10H18O2.
What is the molecular weight of 1,3-Dimethylbutyl 2-butenoate?
The molecular weight of 1,3-Dimethylbutyl 2-butenoate is 170.13 g/mol.
Where can I buy 1,3-Dimethylbutyl 2-butenoate?
You can request a quote for 1,3-Dimethylbutyl 2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylbutyl 2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylbutyl 2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.