Isobutyldiallylcarbinol
TL;DR: Isobutyldiallylcarbinol (CAS 71897-97-7) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpropyl)hepta-1,6-dien-4-ol
Also Known As: Isobutyldiallylcarbinol, NIOSH/MJ9681300, 1-Hepten-4-ol, 4-allyl-6-methyl-, 4-(2-methylpropyl)hepta-1,6-dien-4-ol, 4-(2'-methylpropyl)-1,6-heptadien-4-ol
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 2.9158 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 137.0831 |
Chemical Identifiers
| CAS Number | 71897-97-7 |
|---|---|
| SMILES | CC(C)CC(CC=C)(CC=C)O |
Product Overview
Isobutyldiallylcarbinol (CAS 71897-97-7), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: 4-(2-methylpropyl)hepta-1,6-dien-4-ol.
Chemical Property Profile of Isobutyldiallylcarbinol
Property Insights of Isobutyldiallylcarbinol
The XLogP value of 2.9158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyldiallylcarbinol. With a topological polar surface area (TPSA) of 20.23 Ų, Isobutyldiallylcarbinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyldiallylcarbinol 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 Isobutyldiallylcarbinol?
The CAS number of Isobutyldiallylcarbinol is 71897-97-7.
What is the molecular formula of Isobutyldiallylcarbinol?
The molecular formula of Isobutyldiallylcarbinol is C11H20O.
What is the molecular weight of Isobutyldiallylcarbinol?
The molecular weight of Isobutyldiallylcarbinol is 168.15 g/mol.
Where can I buy Isobutyldiallylcarbinol?
You can request a quote for Isobutyldiallylcarbinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyldiallylcarbinol?
Yes, KEHONG BIO provides custom synthesis services for Isobutyldiallylcarbinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.