Dimethylbutadienylcarbinol
TL;DR: Dimethylbutadienylcarbinol (CAS 69514-47-2) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylhexa-3,5-dien-2-ol
Also Known As: dimethylbutadienylcarbinol, 2-methylhexadiene-3,5-ol-2, 3,5-Hexadien-2-ol, 2-methyl-, 2-Methyl-3,5-hexadien-2-ol, 2-Methyl-hexadien-(3,5)-ol-(2)
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 69514-47-2 |
|---|---|
| SMILES | CC(C)(C=CC=C)O |
| InChIKey | ZWRDKAOHFSUWQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethylbutadienylcarbinol (CAS 69514-47-2), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 2-methylhexa-3,5-dien-2-ol.
Chemical Property Profile of Dimethylbutadienylcarbinol
Property Insights of Dimethylbutadienylcarbinol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylbutadienylcarbinol. With a topological polar surface area (TPSA) of 20.2 Ų, Dimethylbutadienylcarbinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylbutadienylcarbinol 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 Dimethylbutadienylcarbinol?
The CAS number of Dimethylbutadienylcarbinol is 69514-47-2.
What is the molecular formula of Dimethylbutadienylcarbinol?
The molecular formula of Dimethylbutadienylcarbinol is C7H12O.
What is the molecular weight of Dimethylbutadienylcarbinol?
The molecular weight of Dimethylbutadienylcarbinol is 112.09 g/mol.
Where can I buy Dimethylbutadienylcarbinol?
You can request a quote for Dimethylbutadienylcarbinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylbutadienylcarbinol?
Yes, KEHONG BIO provides custom synthesis services for Dimethylbutadienylcarbinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.