3,3-二甲基戊烷
TL;DR: 3,3-二甲基戊烷 (CAS 562-49-2) is a chemical compound with molecular formula C7H16 and molecular weight 100.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-二甲基戊烷
3,3-dimethylpentane
Also Known As: 3,3-DIMETHYLPENTANE, Pentane, 3,3-dimethyl-, Pentane,3,3-dimethyl-, 3.3-Dimethyl pentane, Pentane,3-dimethyl-
| Molecular Formula | C7H16 |
|---|---|
| Molecular Weight | 100.13 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 | 100.1252 |
| Heavy Atoms | 7 |
| Complexity | 38.0 |
| Vapor Pressure | 82.7 [mmHg] |
Chemical Identifiers
| CAS Number | 562-49-2 |
|---|---|
| SMILES | CCC(C)(C)CC |
| InChIKey | AEXMKKGTQYQZCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-二甲基戊烷 (CAS 562-49-2), with molecular formula C7H16 and molecular weight 100.13 g/mol. IUPAC: 3,3-dimethylpentane.
Chemical Property Profile of 3,3-二甲基戊烷
Property Insights of 3,3-二甲基戊烷
The XLogP value of 3.6 indicates that 3,3-二甲基戊烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-二甲基戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二甲基戊烷 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 3,3-二甲基戊烷?
The CAS number of 3,3-二甲基戊烷 is 562-49-2.
What is the molecular formula of 3,3-二甲基戊烷?
The molecular formula of 3,3-二甲基戊烷 is C7H16.
What is the molecular weight of 3,3-二甲基戊烷?
The molecular weight of 3,3-二甲基戊烷 is 100.13 g/mol.
Where can I buy 3,3-二甲基戊烷?
You can request a quote for 3,3-二甲基戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二甲基戊烷?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.