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 198.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyldodecan-3-one
Also Known As: 2-methyldodecan-3-one, dimethylundecanone, 2-Methyldodecane-3-one, 2-METHYL-3-DODECANONE, J1.312.824C
| Molecular Formula | C13H26O |
|---|---|
| Molecular Weight | 198.20 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 198.19836 |
| Heavy Atoms | 14 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 104762-29-0 |
|---|---|
| SMILES | CCCCCCCCCC(=O)C(C)C |
| InChIKey | NBWLKCHXMMMNLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyldodecan-3-one (CAS 104762-29-0), with molecular formula C13H26O and molecular weight 198.20 g/mol. IUPAC: 2-methyldodecan-3-one.
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
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 198.20 g/mol.
Where can I buy 2-Methyldodecan-3-one?
You can request a quote for 2-Methyldodecan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyldodecan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyldodecan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.