2,7-Octadiene, 1-butoxy-
TL;DR: 2,7-Octadiene, 1-butoxy- (CAS 27951-29-7) is a chemical compound with molecular formula C12H22O and molecular weight 182.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butoxyocta-1,6-diene
Also Known As: 2,7-Octadiene, 1-butoxy-, 2,7-Octadiene,1-butoxy, 8-BUTOXYOCTA-1,6-DIENE, RefChem:248876
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 27951-29-7 |
|---|---|
| SMILES | CCCCOCC=CCCCC=C |
| InChIKey | DLDZPEXXODAGIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,7-Octadiene, 1-butoxy- (CAS 27951-29-7), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 8-butoxyocta-1,6-diene.
Chemical Property Profile of 2,7-Octadiene, 1-butoxy-
Property Insights of 2,7-Octadiene, 1-butoxy-
The XLogP value of 3.7 indicates that 2,7-Octadiene, 1-butoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,7-Octadiene, 1-butoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Octadiene, 1-butoxy- 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 2,7-Octadiene, 1-butoxy-?
The CAS number of 2,7-Octadiene, 1-butoxy- is 27951-29-7.
What is the molecular formula of 2,7-Octadiene, 1-butoxy-?
The molecular formula of 2,7-Octadiene, 1-butoxy- is C12H22O.
What is the molecular weight of 2,7-Octadiene, 1-butoxy-?
The molecular weight of 2,7-Octadiene, 1-butoxy- is 182.17 g/mol.
Where can I buy 2,7-Octadiene, 1-butoxy-?
You can request a quote for 2,7-Octadiene, 1-butoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Octadiene, 1-butoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Octadiene, 1-butoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.