2-Methylhepta-2,5-dien-4-ol
TL;DR: 2-Methylhepta-2,5-dien-4-ol (CAS 38614-50-5) is a chemical compound with molecular formula CC=CC(C=C(C)C)O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylhepta-2,5-dien-4-ol
Also Known As: 2-methyl-hepta-2,5-dien-4-ol
| Molecular Formula | CC=CC(C=C(C)C)O |
|---|---|
| Molecular Weight | 126.10 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 | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 38614-50-5 |
|---|---|
| SMILES | CC=CC(C=C(C)C)O |
| InChIKey | PKBWVARBUGUSTC-UHFFFAOYSA-N |
Product Overview
2-Methylhepta-2,5-dien-4-ol (CAS 38614-50-5), with molecular formula CC=CC(C=C(C)C)O and molecular weight 126.10 g/mol. IUPAC: 2-methylhepta-2,5-dien-4-ol.
Chemical Property Profile of 2-Methylhepta-2,5-dien-4-ol
Property Insights of 2-Methylhepta-2,5-dien-4-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylhepta-2,5-dien-4-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Methylhepta-2,5-dien-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylhepta-2,5-dien-4-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 2-Methylhepta-2,5-dien-4-ol?
The CAS number of 2-Methylhepta-2,5-dien-4-ol is 38614-50-5.
What is the molecular formula of 2-Methylhepta-2,5-dien-4-ol?
The molecular formula of 2-Methylhepta-2,5-dien-4-ol is CC=CC(C=C(C)C)O.
What is the molecular weight of 2-Methylhepta-2,5-dien-4-ol?
The molecular weight of 2-Methylhepta-2,5-dien-4-ol is 126.10 g/mol.
Where can I buy 2-Methylhepta-2,5-dien-4-ol?
You can request a quote for 2-Methylhepta-2,5-dien-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylhepta-2,5-dien-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylhepta-2,5-dien-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.