2-Methyldodecan-3-one
TL;DR: 2-Methyldodecan-3-one (CAS 104762-29-0) is a chemical compound with molecular formula C13H26O and molecular weight 198.19836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyldodecan-3-one
Also Known As: 2-methyldodecan-3-one, dimethylundecanone, 2-Methyldodecane-3-one, 2-METHYL-3-DODECANONE, J1.312.824C
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H26O |
| Molecular Weight | 198.19836 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 198.19836 Da |
| Heavy Atoms | 14 |
| Complexity | 138.0 |
| SMILES | CCCCCCCCCC(=O)C(C)C |
| InChIKey | NBWLKCHXMMMNLN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyldodecan-3-one
Property Insights of 2-Methyldodecan-3-one
The XLogP value of 5.1 indicates that 2-Methyldodecan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methyldodecan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyldodecan-3-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Methyldodecan-3-one?
The CAS number of 2-Methyldodecan-3-one is 104762-29-0.
What is the molecular formula of 2-Methyldodecan-3-one?
The molecular formula of 2-Methyldodecan-3-one is C13H26O.
What is the molecular weight of 2-Methyldodecan-3-one?
The molecular weight of 2-Methyldodecan-3-one is 198.19836 g/mol.
Where can I buy 2-Methyldodecan-3-one?
You can request a quote for 2-Methyldodecan-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyldodecan-3-one?
Yes, CoreyChem provides custom synthesis services for 2-Methyldodecan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.