5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one
TL;DR: 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one (CAS 76777-59-8) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one
Also Known As: Hydroxy-furadienone (I), 5-(3-hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one, FURADIENONE, HYDROXY- (I) (SYNTHETIC), 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3(2H)-one, 5-(1-(HYDROXYMETHYL)ETHENYL)-2,2-DIMETHYL-3(2H)-FURANONE
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 76777-59-8 |
|---|---|
| SMILES | CC1(C(=O)C=C(O1)C(=C)CO)C |
| InChIKey | OJMFTZQFNWZUCT-UHFFFAOYSA-N |
Product Overview
5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one (CAS 76777-59-8), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 5-(3-hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one.
Chemical Property Profile of 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one
Property Insights of 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one. With a topological polar surface area (TPSA) of 46.5 Ų, 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one 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-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one?
The CAS number of 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one is 76777-59-8.
What is the molecular formula of 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one?
The molecular formula of 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one is C9H12O3.
What is the molecular weight of 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one?
The molecular weight of 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one is 168.08 g/mol.
Where can I buy 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one?
You can request a quote for 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Hydroxyprop-1-en-2-yl)-2,2-dimethylfuran-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.