2,2,7,7-四甲基辛烷
TL;DR: 2,2,7,7-四甲基辛烷 (CAS 1071-31-4) is a chemical compound with molecular formula C12H26 and molecular weight 170.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,7,7-四甲基辛烷
2,2,7,7-tetramethyloctane
Also Known As: 2,2,7,7-Tetramethyloctane, Octane, 2,2,7,7-tetramethyl-, Octane,2,2,7,7-tetramethyl-, octane,2,2,7,7-tetramethyl, J1.340.638C
| Molecular Formula | C12H26 |
|---|---|
| Molecular Weight | 170.20 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.20345 |
| Heavy Atoms | 12 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 1071-31-4 |
|---|---|
| SMILES | CC(C)(C)CCCCC(C)(C)C |
| InChIKey | QZUFNKONEPLWBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,7,7-四甲基辛烷 (CAS 1071-31-4), with molecular formula C12H26 and molecular weight 170.20 g/mol. IUPAC: 2,2,7,7-tetramethyloctane.
Chemical Property Profile of 2,2,7,7-四甲基辛烷
Property Insights of 2,2,7,7-四甲基辛烷
The XLogP value of 5.8 indicates that 2,2,7,7-四甲基辛烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2,7,7-四甲基辛烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,7,7-四甲基辛烷 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,7,7-四甲基辛烷?
The CAS number of 2,2,7,7-四甲基辛烷 is 1071-31-4.
What is the molecular formula of 2,2,7,7-四甲基辛烷?
The molecular formula of 2,2,7,7-四甲基辛烷 is C12H26.
What is the molecular weight of 2,2,7,7-四甲基辛烷?
The molecular weight of 2,2,7,7-四甲基辛烷 is 170.20 g/mol.
Where can I buy 2,2,7,7-四甲基辛烷?
You can request a quote for 2,2,7,7-四甲基辛烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,7,7-四甲基辛烷?
Yes, KEHONG BIO provides custom synthesis services for 2,2,7,7-四甲基辛烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.