4,5,6,7,7-Pentamethyl-4-octen-3-one
TL;DR: 4,5,6,7,7-Pentamethyl-4-octen-3-one (CAS 81786-78-9) is a chemical compound with molecular formula C13H24O and molecular weight 196.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7,7-pentamethyloct-4-en-3-one
Also Known As: 4,5,6,7,7-Pentamethyloct-4-en-3-one, 4,5,6,7,7-Pentamethyl-4-octen-3-one, 4-Octen-3-one,4,5,6,7,7-pentamethyl-
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 3.9841 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 240.4514 |
Chemical Identifiers
| CAS Number | 81786-78-9 |
|---|---|
| SMILES | CCC(=O)C(=C(C)C(C)C(C)(C)C)C |
Product Overview
4,5,6,7,7-Pentamethyl-4-octen-3-one (CAS 81786-78-9), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: 4,5,6,7,7-pentamethyloct-4-en-3-one.
Chemical Property Profile of 4,5,6,7,7-Pentamethyl-4-octen-3-one
Property Insights of 4,5,6,7,7-Pentamethyl-4-octen-3-one
The XLogP value of 3.9841 indicates that 4,5,6,7,7-Pentamethyl-4-octen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4,5,6,7,7-Pentamethyl-4-octen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7,7-Pentamethyl-4-octen-3-one 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 4,5,6,7,7-Pentamethyl-4-octen-3-one?
The CAS number of 4,5,6,7,7-Pentamethyl-4-octen-3-one is 81786-78-9.
What is the molecular formula of 4,5,6,7,7-Pentamethyl-4-octen-3-one?
The molecular formula of 4,5,6,7,7-Pentamethyl-4-octen-3-one is C13H24O.
What is the molecular weight of 4,5,6,7,7-Pentamethyl-4-octen-3-one?
The molecular weight of 4,5,6,7,7-Pentamethyl-4-octen-3-one is 196.18 g/mol.
Where can I buy 4,5,6,7,7-Pentamethyl-4-octen-3-one?
You can request a quote for 4,5,6,7,7-Pentamethyl-4-octen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7,7-Pentamethyl-4-octen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7,7-Pentamethyl-4-octen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.