1-甲基戊基过氧化氢
TL;DR: 1-甲基戊基过氧化氢 (CAS 42081-81-2) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基戊基过氧化氢
2-hydroperoxyhexane
Also Known As: 2-Hydroperoxyhexane, 2-Hexyl hydroperoxide, 2-Hydroperoxy-hexan, Hydroperoxide, 1-methylpentyl, 2-Hydroperoxy-n-hexane
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 42081-81-2 |
|---|---|
| SMILES | CCCCC(C)OO |
| InChIKey | XWXUHAUZCICPHE-UHFFFAOYSA-N |
Product Overview
1-甲基戊基过氧化氢 (CAS 42081-81-2), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 2-hydroperoxyhexane.
Chemical Property Profile of 1-甲基戊基过氧化氢
Property Insights of 1-甲基戊基过氧化氢
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基戊基过氧化氢. With a topological polar surface area (TPSA) of 29.5 Ų, 1-甲基戊基过氧化氢 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基戊基过氧化氢 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 1-甲基戊基过氧化氢?
The CAS number of 1-甲基戊基过氧化氢 is 42081-81-2.
What is the molecular formula of 1-甲基戊基过氧化氢?
The molecular formula of 1-甲基戊基过氧化氢 is C6H14O2.
What is the molecular weight of 1-甲基戊基过氧化氢?
The molecular weight of 1-甲基戊基过氧化氢 is 118.10 g/mol.
Where can I buy 1-甲基戊基过氧化氢?
You can request a quote for 1-甲基戊基过氧化氢 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基戊基过氧化氢?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基戊基过氧化氢 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.