(Isobutoxymethyl)oxirane
TL;DR: (Isobutoxymethyl)oxirane (CAS 3814-55-9) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropoxymethyl)oxirane
Also Known As: Glycidyl isobutyl ether, 2-(isobutoxymethyl)oxirane, 2-[(2-methylpropoxy)methyl]oxirane, (Isobutoxymethyl)oxirane, 2-(2-methylpropoxymethyl)oxirane
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 3814-55-9 |
|---|---|
| SMILES | CC(C)COCC1CO1 |
| InChIKey | AQKDMKKMCVJJTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Isobutoxymethyl)oxirane (CAS 3814-55-9), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 2-(2-methylpropoxymethyl)oxirane.
Chemical Property Profile of (Isobutoxymethyl)oxirane
Property Insights of (Isobutoxymethyl)oxirane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Isobutoxymethyl)oxirane. With a topological polar surface area (TPSA) of 21.8 Ų, (Isobutoxymethyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Isobutoxymethyl)oxirane has 0 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 (Isobutoxymethyl)oxirane?
The CAS number of (Isobutoxymethyl)oxirane is 3814-55-9.
What is the molecular formula of (Isobutoxymethyl)oxirane?
The molecular formula of (Isobutoxymethyl)oxirane is C7H14O2.
What is the molecular weight of (Isobutoxymethyl)oxirane?
The molecular weight of (Isobutoxymethyl)oxirane is 130.10 g/mol.
Where can I buy (Isobutoxymethyl)oxirane?
You can request a quote for (Isobutoxymethyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Isobutoxymethyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for (Isobutoxymethyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.