3-Methyl-4-decanol
TL;DR: 3-Methyl-4-decanol (CAS 55816-17-6) is a chemical compound with molecular formula C11H24O and molecular weight 172.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyldecan-4-ol
Also Known As: 3-Methyl-4-decanol, 3-methyldecan-4-ol, 2-Butyl n-hexyl carbinol, 4-Decanol, 3-methyl-, 3-Methyl-4-decanol, erythro + threo
| Molecular Formula | C11H24O |
|---|---|
| Molecular Weight | 172.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.18271 |
| Heavy Atoms | 12 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 55816-17-6 |
|---|---|
| SMILES | CCCCCCC(C(C)CC)O |
| InChIKey | SBMFCRFCWMMVQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-decanol (CAS 55816-17-6), with molecular formula C11H24O and molecular weight 172.18 g/mol. IUPAC: 3-methyldecan-4-ol.
Chemical Property Profile of 3-Methyl-4-decanol
Property Insights of 3-Methyl-4-decanol
The XLogP value of 4.2 indicates that 3-Methyl-4-decanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methyl-4-decanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-decanol has 1 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-Methyl-4-decanol?
The CAS number of 3-Methyl-4-decanol is 55816-17-6.
What is the molecular formula of 3-Methyl-4-decanol?
The molecular formula of 3-Methyl-4-decanol is C11H24O.
What is the molecular weight of 3-Methyl-4-decanol?
The molecular weight of 3-Methyl-4-decanol is 172.18 g/mol.
Where can I buy 3-Methyl-4-decanol?
You can request a quote for 3-Methyl-4-decanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-decanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-decanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.