5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)-
TL;DR: 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- (CAS 77142-74-6) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2,4,4,7-tetramethylocta-5,7-dien-3-one
Also Known As: (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-one, (E)-2,4,4,7-Tetramethyl-5,7-octadien-3-one, 2,4,4,7-Tetramethyl-octa-5,7-dien-3-one, 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)-, RefChem:298905
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.37 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 231.50903 |
Chemical Identifiers
| CAS Number | 77142-74-6 |
|---|---|
| SMILES | CC(C)C(=O)C(C)(C)/C=C/C(=C)C |
Product Overview
5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- (CAS 77142-74-6), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: (5E)-2,4,4,7-tetramethylocta-5,7-dien-3-one.
Chemical Property Profile of 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)-
Property Insights of 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)-
The XLogP value of 3.37 indicates that 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- 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 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)-?
The CAS number of 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- is 77142-74-6.
What is the molecular formula of 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)-?
The molecular formula of 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- is C12H20O.
What is the molecular weight of 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)-?
The molecular weight of 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- is 180.15 g/mol.
Where can I buy 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)-?
You can request a quote for 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Octadien-3-one, 2,4,4,7-tetramethyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.