3,4,4-Trimethyl-1-penten-3-ol
TL;DR: 3,4,4-Trimethyl-1-penten-3-ol (CAS 3732-61-4) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4-trimethylpent-1-en-3-ol
Also Known As: 3,4,4-Trimethyl-1-penten-3-ol, 3,4,4-trimethylpent-1-en-3-ol, 3,4,4-trimeth-yl-1-penten-3-ol, 1-Penten-3-ol,3,4,4-trimethyl-, 3,4,4-trimethyl-pent-1-ene-3-ol
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 3732-61-4 |
|---|---|
| SMILES | CC(C)(C)C(C)(C=C)O |
| InChIKey | VHCAZBIUJQZQCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,4-Trimethyl-1-penten-3-ol (CAS 3732-61-4), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 3,4,4-trimethylpent-1-en-3-ol.
Chemical Property Profile of 3,4,4-Trimethyl-1-penten-3-ol
Property Insights of 3,4,4-Trimethyl-1-penten-3-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4-Trimethyl-1-penten-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4,4-Trimethyl-1-penten-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-Trimethyl-1-penten-3-ol 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 3,4,4-Trimethyl-1-penten-3-ol?
The CAS number of 3,4,4-Trimethyl-1-penten-3-ol is 3732-61-4.
What is the molecular formula of 3,4,4-Trimethyl-1-penten-3-ol?
The molecular formula of 3,4,4-Trimethyl-1-penten-3-ol is C8H16O.
What is the molecular weight of 3,4,4-Trimethyl-1-penten-3-ol?
The molecular weight of 3,4,4-Trimethyl-1-penten-3-ol is 128.12 g/mol.
Where can I buy 3,4,4-Trimethyl-1-penten-3-ol?
You can request a quote for 3,4,4-Trimethyl-1-penten-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4-Trimethyl-1-penten-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4-Trimethyl-1-penten-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.