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1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene
TL;DR: 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene (CAS 51113-55-4) is a chemical compound with molecular formula C17H26O and molecular weight 246.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,7-dimethyloct-6-enoxy)-3-methylbenzene
Also Known As: 1-(3,7-dimethyloct-6-enoxy)-3-methylbenzene, 1-[(3,7-dimethyloct-6-en-1-yl)oxy]-3-methylbenzene
| Molecular Formula | C17H26O |
|---|---|
| Molecular Weight | 246.20 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 246.19836 |
| Heavy Atoms | 18 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 51113-55-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCC(C)CCC=C(C)C |
| InChIKey | ALHUXPLJZZPGEO-UHFFFAOYSA-N |
Product Overview
1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene (CAS 51113-55-4), with molecular formula C17H26O and molecular weight 246.20 g/mol. IUPAC: 1-(3,7-dimethyloct-6-enoxy)-3-methylbenzene.
Chemical Property Profile of 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene
Property Insights of 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene
The XLogP value of 5.9 indicates that 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene?
The CAS number of 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene is 51113-55-4.
What is the molecular formula of 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene?
The molecular formula of 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene is C17H26O.
What is the molecular weight of 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene?
The molecular weight of 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene is 246.20 g/mol.
Where can I buy 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene?
You can request a quote for 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3,7-Dimethyloct-6-en-1-yl)oxy]-3-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.