3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol
TL;DR: 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol (CAS 69161-48-4) is a chemical compound with molecular formula C15H30O3 and molecular weight 258.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol
Also Known As: 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol, 3-[3-(3-Methyl-3-butenyloxy)-3-methylbutoxy]-3-methyl-1-butanol, 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol, 3-Methyl-3-(3-methyl-3-[(3-methyl-3-butenyl)oxy]butoxy)-1-butanol #, 3-methyl-3-{3-methyl-3-[(3-methylbut-3-en-1-yl)oxy]butoxy}butan-1-ol
| Molecular Formula | C15H30O3 |
|---|---|
| Molecular Weight | 258.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.21948 |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 69161-48-4 |
|---|---|
| SMILES | CC(=C)CCOC(C)(C)CCOC(C)(C)CCO |
| InChIKey | AMHIUBLQGDHLIM-UHFFFAOYSA-N |
Product Overview
3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol (CAS 69161-48-4), with molecular formula C15H30O3 and molecular weight 258.22 g/mol. IUPAC: 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol.
Chemical Property Profile of 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol
Property Insights of 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol. With a topological polar surface area (TPSA) of 38.7 Ų, 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol has 1 hydrogen bond donor(s) and 3 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 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol?
The CAS number of 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol is 69161-48-4.
What is the molecular formula of 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol?
The molecular formula of 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol is C15H30O3.
What is the molecular weight of 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol?
The molecular weight of 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol is 258.22 g/mol.
Where can I buy 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol?
You can request a quote for 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.