3,4-Pentadien-1-ol, 2,2-dimethyl-
TL;DR: 3,4-Pentadien-1-ol, 2,2-dimethyl- (CAS 4058-52-0) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpenta-3,4-dien-1-ol
Also Known As: 3,4-Pentadien-1-ol, 2,2-dimethyl-, 2,2-dimethylpenta-3,4-dien-1-ol, 2,2-Dimethyl-3,4-pentadien-1-ol, 4,4-Dimethyl-1,2-pentadiene-5-ol, 3,4-Pentadien-1-ol,2,2-dimethyl
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 4058-52-0 |
|---|---|
| SMILES | CC(C)(CO)C=C=C |
| InChIKey | NOTNXVNZHXXZSG-UHFFFAOYSA-N |
Product Overview
3,4-Pentadien-1-ol, 2,2-dimethyl- (CAS 4058-52-0), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 2,2-dimethylpenta-3,4-dien-1-ol.
Chemical Property Profile of 3,4-Pentadien-1-ol, 2,2-dimethyl-
Property Insights of 3,4-Pentadien-1-ol, 2,2-dimethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Pentadien-1-ol, 2,2-dimethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 3,4-Pentadien-1-ol, 2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Pentadien-1-ol, 2,2-dimethyl- 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-Pentadien-1-ol, 2,2-dimethyl-?
The CAS number of 3,4-Pentadien-1-ol, 2,2-dimethyl- is 4058-52-0.
What is the molecular formula of 3,4-Pentadien-1-ol, 2,2-dimethyl-?
The molecular formula of 3,4-Pentadien-1-ol, 2,2-dimethyl- is C7H12O.
What is the molecular weight of 3,4-Pentadien-1-ol, 2,2-dimethyl-?
The molecular weight of 3,4-Pentadien-1-ol, 2,2-dimethyl- is 112.09 g/mol.
Where can I buy 3,4-Pentadien-1-ol, 2,2-dimethyl-?
You can request a quote for 3,4-Pentadien-1-ol, 2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Pentadien-1-ol, 2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Pentadien-1-ol, 2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.