(2e)-1-Cyano-4,4-dimethyl-2-pentene
TL;DR: (2e)-1-Cyano-4,4-dimethyl-2-pentene (CAS 103499-83-8) is a chemical compound with molecular formula C8H13N and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5,5-dimethylhex-3-enenitrile
Also Known As: 5,5-dimethylhex-3-enenitrile, (E)-5,5-Dimethyl-3-hexenenitrile, (2e)-1-cyano-4,4-dimethyl-2-pentene, (3E)-5,5-DIMETHYLHEX-3-ENENITRILE, J2.326.698I
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 103499-83-8 |
|---|---|
| SMILES | CC(C)(C)/C=C/CC#N |
| InChIKey | XUWCVMSAQSVPLD-GQCTYLIASA-N |
Product Overview
(2e)-1-Cyano-4,4-dimethyl-2-pentene (CAS 103499-83-8), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: (E)-5,5-dimethylhex-3-enenitrile.
Chemical Property Profile of (2e)-1-Cyano-4,4-dimethyl-2-pentene
Property Insights of (2e)-1-Cyano-4,4-dimethyl-2-pentene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2e)-1-Cyano-4,4-dimethyl-2-pentene. With a topological polar surface area (TPSA) of 23.8 Ų, (2e)-1-Cyano-4,4-dimethyl-2-pentene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2e)-1-Cyano-4,4-dimethyl-2-pentene has 0 hydrogen bond donor(s) and 1 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 (2e)-1-Cyano-4,4-dimethyl-2-pentene?
The CAS number of (2e)-1-Cyano-4,4-dimethyl-2-pentene is 103499-83-8.
What is the molecular formula of (2e)-1-Cyano-4,4-dimethyl-2-pentene?
The molecular formula of (2e)-1-Cyano-4,4-dimethyl-2-pentene is C8H13N.
What is the molecular weight of (2e)-1-Cyano-4,4-dimethyl-2-pentene?
The molecular weight of (2e)-1-Cyano-4,4-dimethyl-2-pentene is 123.10 g/mol.
Where can I buy (2e)-1-Cyano-4,4-dimethyl-2-pentene?
You can request a quote for (2e)-1-Cyano-4,4-dimethyl-2-pentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2e)-1-Cyano-4,4-dimethyl-2-pentene?
Yes, KEHONG BIO provides custom synthesis services for (2e)-1-Cyano-4,4-dimethyl-2-pentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.