6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one
TL;DR: 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one (CAS 90060-00-7) is a chemical compound with molecular formula C20H33NO3 and molecular weight 335.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1-(2,6,6-trimethylcyclohexen-1-yl)undec-1-en-3-one
Also Known As: 6-NITRO-1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)UNDEC-1-EN-3-ONE, 6-Nitro-1-(2,6,6-trimethyl-cyclohex-1-enyl)-undec-1-en-3-one
| Molecular Formula | C20H33NO3 |
|---|---|
| Molecular Weight | 335.25 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 335.24603 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 90060-00-7 |
|---|---|
| SMILES | CCCCCC(CCC(=O)C=CC1=C(CCCC1(C)C)C)[N+](=O)[O-] |
| InChIKey | CYHPZPHEZWLDMA-UHFFFAOYSA-N |
Product Overview
6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one (CAS 90060-00-7), with molecular formula C20H33NO3 and molecular weight 335.25 g/mol. IUPAC: 6-nitro-1-(2,6,6-trimethylcyclohexen-1-yl)undec-1-en-3-one.
Chemical Property Profile of 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one
Property Insights of 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one
The XLogP value of 5.4 indicates that 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one. Following Lipinski's Rule of Five, 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one?
The CAS number of 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one is 90060-00-7.
What is the molecular formula of 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one?
The molecular formula of 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one is C20H33NO3.
What is the molecular weight of 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one?
The molecular weight of 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one is 335.25 g/mol.
Where can I buy 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one?
You can request a quote for 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1-(2,6,6-trimethylcyclohex-1-EN-1-YL)undec-1-EN-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.