Dehydrolinalool
TL;DR: Dehydrolinalool (CAS 29171-20-8) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-en-1-yn-3-ol
Also Known As: Dehydrolinalool, 3,7-Dimethyloct-6-en-1-yn-3-ol, 2-Dehydrolinalool, 3,7-Dimethyl-6-octen-1-yn-3-ol, Linalool, dehydro-
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
| Melting Point | -58.00 to -56.00 °C. @ 760.00 mm Hg |
| Boiling Point | 198.00 to 199.00 °C. @ 760.00 mm Hg |
| Flash Point | 85 °C |
| Vapor Pressure | 8.34 [mmHg] |
Chemical Identifiers
| CAS Number | 29171-20-8 |
|---|---|
| SMILES | CC(=CCCC(C)(C#C)O)C |
| InChIKey | YWTIDNZYLFTNQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dehydrolinalool (CAS 29171-20-8), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 3,7-dimethyloct-6-en-1-yn-3-ol.
Chemical Property Profile of Dehydrolinalool
Property Insights of Dehydrolinalool
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydrolinalool. With a topological polar surface area (TPSA) of 20.2 Ų, Dehydrolinalool exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydrolinalool 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 Dehydrolinalool?
The CAS number of Dehydrolinalool is 29171-20-8.
What is the molecular formula of Dehydrolinalool?
The molecular formula of Dehydrolinalool is C10H16O.
What is the molecular weight of Dehydrolinalool?
The molecular weight of Dehydrolinalool is 152.12 g/mol.
Where can I buy Dehydrolinalool?
You can request a quote for Dehydrolinalool directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrolinalool?
Yes, KEHONG BIO provides custom synthesis services for Dehydrolinalool and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.