1-Hexanol, 3,5,5-trimethyl-2-methylene-
TL;DR: 1-Hexanol, 3,5,5-trimethyl-2-methylene- (CAS 68039-76-9) is a chemical compound with molecular formula C10H20O and molecular weight 156.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-2-methylidenehexan-1-ol
Also Known As: 2- ALLYLALCOHOL, 2-Methylene-3,5,5-trimethylhexanol, 1-Hexanol, 3,5,5-trimethyl-2-methylene-, 3,5,5-trimethyl-2-methylidenehexan-1-ol, 2-(1,3,3-Trimethylbutyl)allyl alcohol
| Molecular Formula | C10H20O |
|---|---|
| Molecular Weight | 156.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.15141 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 68039-76-9 |
|---|---|
| SMILES | CC(CC(C)(C)C)C(=C)CO |
| InChIKey | XSBHPGJXCJMNNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexanol, 3,5,5-trimethyl-2-methylene- (CAS 68039-76-9), with molecular formula C10H20O and molecular weight 156.15 g/mol. IUPAC: 3,5,5-trimethyl-2-methylidenehexan-1-ol.
Chemical Property Profile of 1-Hexanol, 3,5,5-trimethyl-2-methylene-
Property Insights of 1-Hexanol, 3,5,5-trimethyl-2-methylene-
The XLogP value of 3.3 indicates that 1-Hexanol, 3,5,5-trimethyl-2-methylene- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Hexanol, 3,5,5-trimethyl-2-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexanol, 3,5,5-trimethyl-2-methylene- 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 1-Hexanol, 3,5,5-trimethyl-2-methylene-?
The CAS number of 1-Hexanol, 3,5,5-trimethyl-2-methylene- is 68039-76-9.
What is the molecular formula of 1-Hexanol, 3,5,5-trimethyl-2-methylene-?
The molecular formula of 1-Hexanol, 3,5,5-trimethyl-2-methylene- is C10H20O.
What is the molecular weight of 1-Hexanol, 3,5,5-trimethyl-2-methylene-?
The molecular weight of 1-Hexanol, 3,5,5-trimethyl-2-methylene- is 156.15 g/mol.
Where can I buy 1-Hexanol, 3,5,5-trimethyl-2-methylene-?
You can request a quote for 1-Hexanol, 3,5,5-trimethyl-2-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexanol, 3,5,5-trimethyl-2-methylene-?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanol, 3,5,5-trimethyl-2-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.