Dehydrodihydroionol
TL;DR: Dehydrodihydroionol (CAS 57069-86-0) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-ol
Also Known As: Dehydrodihydroionol, FEMA No. 3446, Megastigma-3,5-dien-9-ol, DEHYDRODIHYDROIONOL [FHFI], 7,8-Dehydro-3,4-dihydro-beta-ionol
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
| Boiling Point | 80.00 °C. @ 1.00 mm Hg |
| Density | 0.918-0.926 |
| Solubility | soluble in alcohol and most fixed oils; insoluble in water |
| Refractive Index | 1.489-1.496 |
Chemical Identifiers
| CAS Number | 57069-86-0 |
|---|---|
| SMILES | CC1=C(C(CC=C1)(C)C)CCC(C)O |
| InChIKey | WPGXAVCJKGSOBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dehydrodihydroionol (CAS 57069-86-0), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-ol.
Chemical Property Profile of Dehydrodihydroionol
Property Insights of Dehydrodihydroionol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydrodihydroionol. With a topological polar surface area (TPSA) of 20.2 Ų, Dehydrodihydroionol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydrodihydroionol has 1 hydrogen bond donor(s) and 1 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 Dehydrodihydroionol?
The CAS number of Dehydrodihydroionol is 57069-86-0.
What is the molecular formula of Dehydrodihydroionol?
The molecular formula of Dehydrodihydroionol is C13H22O.
What is the molecular weight of Dehydrodihydroionol?
The molecular weight of Dehydrodihydroionol is 194.17 g/mol.
Where can I buy Dehydrodihydroionol?
You can request a quote for Dehydrodihydroionol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrodihydroionol?
Yes, KEHONG BIO provides custom synthesis services for Dehydrodihydroionol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.