2,2,4,6,6-Pentamethylheptane
TL;DR: 2,2,4,6,6-Pentamethylheptane (CAS 13475-82-6) 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.
2,2,4,6,6-pentamethylheptane
Also Known As: 2,2,4,6,6-PENTAMETHYLHEPTANE, ISODODECANE, PMH cpd, Heptane, 2,2,4,6,6-pentamethyl-, Permethyl 99A
| Molecular Formula | C12H26 |
|---|---|
| Molecular Weight | 170.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.20345 |
| Heavy Atoms | 12 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 13475-82-6 |
|---|---|
| SMILES | CC(CC(C)(C)C)CC(C)(C)C |
| InChIKey | VKPSKYDESGTTFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4,6,6-Pentamethylheptane (CAS 13475-82-6), with molecular formula C12H26 and molecular weight 170.20 g/mol. IUPAC: 2,2,4,6,6-pentamethylheptane.
Chemical Property Profile of 2,2,4,6,6-Pentamethylheptane
Property Insights of 2,2,4,6,6-Pentamethylheptane
The XLogP value of 5.6 indicates that 2,2,4,6,6-Pentamethylheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2,4,6,6-Pentamethylheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4,6,6-Pentamethylheptane 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 2,2,4,6,6-Pentamethylheptane?
The CAS number of 2,2,4,6,6-Pentamethylheptane is 13475-82-6.
What is the molecular formula of 2,2,4,6,6-Pentamethylheptane?
The molecular formula of 2,2,4,6,6-Pentamethylheptane is C12H26.
What is the molecular weight of 2,2,4,6,6-Pentamethylheptane?
The molecular weight of 2,2,4,6,6-Pentamethylheptane is 170.20 g/mol.
Where can I buy 2,2,4,6,6-Pentamethylheptane?
You can request a quote for 2,2,4,6,6-Pentamethylheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4,6,6-Pentamethylheptane?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4,6,6-Pentamethylheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.