3,4-Dimethyl-1-penten-3-ol
TL;DR: 3,4-Dimethyl-1-penten-3-ol (CAS 40076-53-7) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylpent-1-en-3-ol
Also Known As: 3,4-Dimethylpent-1-en-3-ol, 3,4-Dimethyl-1-penten-3-ol, EINECS 254-785-1, 1-Penten-3-ol, 3,4-dimethyl-, 3,4-Dimethyl-pent-(1)-en-3-ol
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.5794 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 82.38762 |
Chemical Identifiers
| CAS Number | 40076-53-7 |
|---|---|
| SMILES | CC(C)C(C)(C=C)O |
Product Overview
3,4-Dimethyl-1-penten-3-ol (CAS 40076-53-7), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 3,4-dimethylpent-1-en-3-ol.
Chemical Property Profile of 3,4-Dimethyl-1-penten-3-ol
Property Insights of 3,4-Dimethyl-1-penten-3-ol
The XLogP value of 1.5794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-1-penten-3-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 3,4-Dimethyl-1-penten-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-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-Dimethyl-1-penten-3-ol?
The CAS number of 3,4-Dimethyl-1-penten-3-ol is 40076-53-7.
What is the molecular formula of 3,4-Dimethyl-1-penten-3-ol?
The molecular formula of 3,4-Dimethyl-1-penten-3-ol is C7H14O.
What is the molecular weight of 3,4-Dimethyl-1-penten-3-ol?
The molecular weight of 3,4-Dimethyl-1-penten-3-ol is 114.10 g/mol.
Where can I buy 3,4-Dimethyl-1-penten-3-ol?
You can request a quote for 3,4-Dimethyl-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-Dimethyl-1-penten-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-1-penten-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.