1,5-Heptadiene, 3,3-dimethyl-, (E)-
TL;DR: 1,5-Heptadiene, 3,3-dimethyl-, (E)- (CAS 67682-47-7) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3,3-dimethylhepta-1,5-diene
Also Known As: -3,3-Dimethyl-1,5-heptadiene, (5E)-3,3-dimethylhepta-1,5-diene, (E)-3,3-Dimethyl-1,5-heptadiene, (5E)-3,3-Dimethyl-1,5-heptadiene, 1,5-Heptadiene, 3,3-dimethyl-, (E)-
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.1648 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 107.20672 |
Chemical Identifiers
| CAS Number | 67682-47-7 |
|---|---|
| SMILES | C/C=C/CC(C)(C)C=C |
Product Overview
1,5-Heptadiene, 3,3-dimethyl-, (E)- (CAS 67682-47-7), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: (5E)-3,3-dimethylhepta-1,5-diene.
Chemical Property Profile of 1,5-Heptadiene, 3,3-dimethyl-, (E)-
Property Insights of 1,5-Heptadiene, 3,3-dimethyl-, (E)-
The XLogP value of 3.1648 indicates that 1,5-Heptadiene, 3,3-dimethyl-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,5-Heptadiene, 3,3-dimethyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Heptadiene, 3,3-dimethyl-, (E)- 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 1,5-Heptadiene, 3,3-dimethyl-, (E)-?
The CAS number of 1,5-Heptadiene, 3,3-dimethyl-, (E)- is 67682-47-7.
What is the molecular formula of 1,5-Heptadiene, 3,3-dimethyl-, (E)-?
The molecular formula of 1,5-Heptadiene, 3,3-dimethyl-, (E)- is C9H16.
What is the molecular weight of 1,5-Heptadiene, 3,3-dimethyl-, (E)-?
The molecular weight of 1,5-Heptadiene, 3,3-dimethyl-, (E)- is 124.13 g/mol.
Where can I buy 1,5-Heptadiene, 3,3-dimethyl-, (E)-?
You can request a quote for 1,5-Heptadiene, 3,3-dimethyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Heptadiene, 3,3-dimethyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Heptadiene, 3,3-dimethyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.