3,3-Bis(nitromethyl)pentane
TL;DR: 3,3-Bis(nitromethyl)pentane (CAS 165179-35-1) is a chemical compound with molecular formula C7H14N2O4 and molecular weight 190.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-bis(nitromethyl)pentane
Also Known As: 3,3-bis(nitromethyl)pentane, NCIOpen2_001166, Pentane,3,3-bis(nitromethyl)-, J1.135.105K
Technical Specifications
| Molecular Formula | C7H14N2O4 |
| Molecular Weight | 190.09535 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09535 Da |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
| SMILES | CCC(CC)(C[N+](=O)[O-])C[N+](=O)[O-] |
| InChIKey | XOGZZVNGLVHBRD-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-Bis(nitromethyl)pentane
Property Insights of 3,3-Bis(nitromethyl)pentane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Bis(nitromethyl)pentane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Bis(nitromethyl)pentane. Following Lipinski's Rule of Five, 3,3-Bis(nitromethyl)pentane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,3-Bis(nitromethyl)pentane?
The CAS number of 3,3-Bis(nitromethyl)pentane is 165179-35-1.
What is the molecular formula of 3,3-Bis(nitromethyl)pentane?
The molecular formula of 3,3-Bis(nitromethyl)pentane is C7H14N2O4.
What is the molecular weight of 3,3-Bis(nitromethyl)pentane?
The molecular weight of 3,3-Bis(nitromethyl)pentane is 190.09535 g/mol.
Where can I buy 3,3-Bis(nitromethyl)pentane?
You can request a quote for 3,3-Bis(nitromethyl)pentane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Bis(nitromethyl)pentane?
Yes, CoreyChem provides custom synthesis services for 3,3-Bis(nitromethyl)pentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.