5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol
TL;DR: 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol (CAS 58344-89-1) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-5,5-dimethylhex-1-en-3-ol
Also Known As: 5,5-dimethyl-1-1-hexen-3-ol, 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 58344-89-1 |
|---|---|
| SMILES | CC(C)(C)CC(C=CC1=CC2=C(C=C1)OCO2)O |
| InChIKey | RDTWCCOBFRHXHM-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol (CAS 58344-89-1), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-5,5-dimethylhex-1-en-3-ol.
Chemical Property Profile of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol
Property Insights of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol
The XLogP value of 4.0 indicates that 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol 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
Frequently Asked Questions
What is the CAS number of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol?
The CAS number of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol is 58344-89-1.
What is the molecular formula of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol?
The molecular formula of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol is C15H20O3.
What is the molecular weight of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol?
The molecular weight of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol is 248.14 g/mol.
Where can I buy 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol?
You can request a quote for 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.