3,4,5,6,6-Pentamethylhept-3-en-2-one
TL;DR: 3,4,5,6,6-Pentamethylhept-3-en-2-one (CAS 81786-73-4) 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.
3,4,5,6,6-pentamethylhept-3-en-2-one
Also Known As: pentamethylheptenone, WOODY AMYLENE, 3,4,5,6,6-Pentamethylhept-3-en-2-one, 3-Hepten-2-one, 3,4,5,6,6-pentamethyl-, (E)-3,4,5,6,6-Pentamethylhept-3-en-2-one
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 3.594 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 227.99925 |
Chemical Identifiers
| CAS Number | 81786-73-4 |
|---|---|
| SMILES | CC(C(=C(C)C(=O)C)C)C(C)(C)C |
Product Overview
3,4,5,6,6-Pentamethylhept-3-en-2-one (CAS 81786-73-4), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 3,4,5,6,6-pentamethylhept-3-en-2-one.
Chemical Property Profile of 3,4,5,6,6-Pentamethylhept-3-en-2-one
Property Insights of 3,4,5,6,6-Pentamethylhept-3-en-2-one
The XLogP value of 3.594 indicates that 3,4,5,6,6-Pentamethylhept-3-en-2-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, 3,4,5,6,6-Pentamethylhept-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6,6-Pentamethylhept-3-en-2-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 3,4,5,6,6-Pentamethylhept-3-en-2-one?
The CAS number of 3,4,5,6,6-Pentamethylhept-3-en-2-one is 81786-73-4.
What is the molecular formula of 3,4,5,6,6-Pentamethylhept-3-en-2-one?
The molecular formula of 3,4,5,6,6-Pentamethylhept-3-en-2-one is C12H22O.
What is the molecular weight of 3,4,5,6,6-Pentamethylhept-3-en-2-one?
The molecular weight of 3,4,5,6,6-Pentamethylhept-3-en-2-one is 182.17 g/mol.
Where can I buy 3,4,5,6,6-Pentamethylhept-3-en-2-one?
You can request a quote for 3,4,5,6,6-Pentamethylhept-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6,6-Pentamethylhept-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6,6-Pentamethylhept-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.