Pentane, 2,4-dimethyl-3-methylene-
TL;DR: Pentane, 2,4-dimethyl-3-methylene- (CAS 112058-90-9) is a chemical compound with molecular formula C8H16 and molecular weight 112.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-3-methylidenepentane
Also Known As: 2,4-dimethyl-3-methylidenepentane, trans-Diisopropylethylene, 3-METHYL-2-ISO-PROPYL-1-BUTENE, Diisopropyl dithiocarbamate, 2,4-Dimethyl-3-methylenepentane
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 112058-90-9 |
|---|---|
| SMILES | CC(C)C(=C)C(C)C |
| InChIKey | GIBPFTYFAOOKOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentane, 2,4-dimethyl-3-methylene- (CAS 112058-90-9), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 2,4-dimethyl-3-methylidenepentane.
Chemical Property Profile of Pentane, 2,4-dimethyl-3-methylene-
Property Insights of Pentane, 2,4-dimethyl-3-methylene-
The XLogP value of 3.6 indicates that Pentane, 2,4-dimethyl-3-methylene- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentane, 2,4-dimethyl-3-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane, 2,4-dimethyl-3-methylene- has 0 hydrogen bond donor(s) and 0 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 Pentane, 2,4-dimethyl-3-methylene-?
The CAS number of Pentane, 2,4-dimethyl-3-methylene- is 112058-90-9.
What is the molecular formula of Pentane, 2,4-dimethyl-3-methylene-?
The molecular formula of Pentane, 2,4-dimethyl-3-methylene- is C8H16.
What is the molecular weight of Pentane, 2,4-dimethyl-3-methylene-?
The molecular weight of Pentane, 2,4-dimethyl-3-methylene- is 112.13 g/mol.
Where can I buy Pentane, 2,4-dimethyl-3-methylene-?
You can request a quote for Pentane, 2,4-dimethyl-3-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane, 2,4-dimethyl-3-methylene-?
Yes, KEHONG BIO provides custom synthesis services for Pentane, 2,4-dimethyl-3-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.