1,3-Butadiene, 2-ethyl-3-methyl-
TL;DR: 1,3-Butadiene, 2-ethyl-3-methyl- (CAS 14145-44-9) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-methylidenepent-1-ene
Also Known As: 1,3-Butadiene, 2-ethyl-3-methyl-, 2-methyl-3-methylidenepent-1-ene, 2-Ethyl-3-methyl-1,3-butadiene, 2-methyl-3-methylenepent-1-ene, CH2=C(CH3)C(C2H5)=CH2
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 14145-44-9 |
|---|---|
| SMILES | CCC(=C)C(=C)C |
| InChIKey | PJXJBPMWCKMWLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butadiene, 2-ethyl-3-methyl- (CAS 14145-44-9), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 2-methyl-3-methylidenepent-1-ene.
Chemical Property Profile of 1,3-Butadiene, 2-ethyl-3-methyl-
Property Insights of 1,3-Butadiene, 2-ethyl-3-methyl-
The XLogP value of 3.5 indicates that 1,3-Butadiene, 2-ethyl-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Butadiene, 2-ethyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiene, 2-ethyl-3-methyl- 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 1,3-Butadiene, 2-ethyl-3-methyl-?
The CAS number of 1,3-Butadiene, 2-ethyl-3-methyl- is 14145-44-9.
What is the molecular formula of 1,3-Butadiene, 2-ethyl-3-methyl-?
The molecular formula of 1,3-Butadiene, 2-ethyl-3-methyl- is C7H12.
What is the molecular weight of 1,3-Butadiene, 2-ethyl-3-methyl-?
The molecular weight of 1,3-Butadiene, 2-ethyl-3-methyl- is 96.09 g/mol.
Where can I buy 1,3-Butadiene, 2-ethyl-3-methyl-?
You can request a quote for 1,3-Butadiene, 2-ethyl-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butadiene, 2-ethyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butadiene, 2-ethyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.