Isobutoxymethanol
TL;DR: Isobutoxymethanol (CAS 3085-36-7) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropoxymethanol
Also Known As: Isobutoxymethanol, 2-methylpropoxymethanol, Methanol, (2-methylpropoxy)-, 2-Methylpropyloxymethanol, Methanol, 1-(2-methylpropoxy)-
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 3085-36-7 |
|---|---|
| SMILES | CC(C)COCO |
| InChIKey | QONBKISCDWCHKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutoxymethanol (CAS 3085-36-7), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 2-methylpropoxymethanol.
Chemical Property Profile of Isobutoxymethanol
Property Insights of Isobutoxymethanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutoxymethanol. With a topological polar surface area (TPSA) of 29.5 Ų, Isobutoxymethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutoxymethanol has 1 hydrogen bond donor(s) and 2 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 Isobutoxymethanol?
The CAS number of Isobutoxymethanol is 3085-36-7.
What is the molecular formula of Isobutoxymethanol?
The molecular formula of Isobutoxymethanol is C5H12O2.
What is the molecular weight of Isobutoxymethanol?
The molecular weight of Isobutoxymethanol is 104.08 g/mol.
Where can I buy Isobutoxymethanol?
You can request a quote for Isobutoxymethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutoxymethanol?
Yes, KEHONG BIO provides custom synthesis services for Isobutoxymethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.