3-Methylpentane
TL;DR: 3-Methylpentane (CAS 96-14-0) is a chemical compound with molecular formula C6H14 and molecular weight 86.10955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylpentane
Also Known As: 3-METHYLPENTANE, Pentane, 3-methyl-, Diethylmethylmethane, 3-Methyl-pentane, 3-methylpentan
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14 |
| Molecular Weight | 86.10955 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 86.10955 Da |
| Heavy Atoms | 6 |
| Complexity | 19.0 |
| Melting Point | -162.9 °C |
| Boiling Point | 63.271 °C |
| Density | 0.66431 g/cu cm at 20 °C; 0.65976 g/cu cm at 25 °C |
| Flash Point | -6.6 °C |
| Vapor Pressure | 190.0 [mmHg] |
| Refractive Index | Index of refraction = 1.37652 at 20 °C; 1.37386 at 25 °C |
| Solubility | Sol in ethanol, carbon tetrachloride; miscible in ether, acetone, benzene, heptane |
| SMILES | CCC(C)CC |
| InChIKey | PFEOZHBOMNWTJB-UHFFFAOYSA-N |
Product Description
Applications: 3-Methylpentane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Methylpentane (CAS 96-14-0) is a heterocyclic building block with the molecular formula C6H14 and a molecular weight of 86.11 g/mol. Key physical properties include a density of 0.66431 g/cu cm at 20 °C; 0.65976 g/cu cm at 25 °C g/cm³, a solubility: Sol in ethanol, carbon tetrachloride; miscible in ether, acetone, benzene, heptane. Synonyms include 3-METHYLPENTANE and Pentane, 3-methyl-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Methylpentane
Property Insights of 3-Methylpentane
The XLogP value of 3.2 indicates that 3-Methylpentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methylpentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylpentane 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
What is the CAS number of 3-Methylpentane?
The CAS number of 3-Methylpentane is 96-14-0.
What is the molecular formula of 3-Methylpentane?
The molecular formula of 3-Methylpentane is C6H14.
What is the molecular weight of 3-Methylpentane?
The molecular weight of 3-Methylpentane is 86.10955 g/mol.
What are the applications of 3-Methylpentane?
3-Methylpentane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Methylpentane?
You can request a quote for 3-Methylpentane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylpentane?
Yes, CoreyChem provides custom synthesis services for 3-Methylpentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.