3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-
TL;DR: 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl- (CAS 113949-28-3) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbut-3-en-2-ol
Also Known As: 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-, (E)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbut-3-en-2-ol, (E)-4-benzo[1,3]dioxol-5-yl-2,3-dimethyl-but-3-en-2-ol
Technical Specifications
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.10994 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10994 Da |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
| SMILES | C/C(=C\C1=CC2=C(C=C1)OCO2)/C(C)(C)O |
| InChIKey | BGSKHWKOKCSGND-RMKNXTFCSA-N |
Chemical Property Profile of 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-
Property Insights of 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-
The XLogP value of 3.1 indicates that 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-?
The CAS number of 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl- is 113949-28-3.
What is the molecular formula of 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-?
The molecular formula of 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl- is C13H16O3.
What is the molecular weight of 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-?
The molecular weight of 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl- is 220.10994 g/mol.
Where can I buy 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-?
You can request a quote for 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 3-Buten-2-ol, 4-(1,3-benzodioxol-5-yl)-2,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.