1-Methoxyoctane

PubChem CID: 70247

Connections displayed (default: 10).

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Compound Synonyms	1-Methoxyoctane, 929-56-6, Octane, 1-methoxy-, Octyl methyl ether, Methyl octyl ether, n-Octyl methyl ether, Ether, methyl octyl, EINECS 213-201-5, DTXSID40239190, methoxyoctane, SCHEMBL92148, SCHEMBL6886000, SCHEMBL13389166, DTXCID60161681, MFCD01366363, AKOS006229555, NS00039509, Q3333701, 213-201-5
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Deep Smiles	CCCCCCCCOC
Heavy Atom Count	10.0
Classyfire Class	Organooxygen compounds
Classyfire Subclass	Ethers
Isotope Atom Count	0.0
Molecular Complexity	52.7
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	1-methoxyoctane
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Xlogp	4.0
Gsk 4 400 Rule	True
Molecular Formula	C9H20O
Prediction Swissadme	0.0
Inchi Key	RIAWWRJHTAZJSU-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	1.0
Logs	-3.534
Rotatable Bond Count	7.0
Logd	3.344
Synonyms	methyl octyl ether
Esol Class	Soluble
Functional Groups	COC
Compound Name	1-Methoxyoctane
Prediction Hob Swissadme	0.0
Exact Mass	144.151
Formal Charge	0.0
Monoisotopic Mass	144.151
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	144.25
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.7797996
Inchi	InChI=1S/C9H20O/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
Smiles	CCCCCCCCOC
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	0.0
Egan Rule	True

1. Outgoing r'ship FOUND_IN to/from Abies Canadensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Anagallis Arvensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Asarum Canadensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Buglossoides Arvensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Calendula Arvensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Collinsonia Canadensis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Convolvulus Arvensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Conyza Canadensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Dicentra Canadensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Erigeron Canadensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Filago Arvensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Goniothalamus Arvensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Hydrastis Canadensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Lactuca Canadensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Mentha Aquatica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
17. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
18. Outgoing r'ship FOUND_IN to/from Mentha Cardiaca (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Mentha Cordifolia (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Mentha Diemenica (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Mentha Gattefossei (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Mentha Incana (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Mentha Pulegiformis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Mentha Pulegium (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Mentha Requienii (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Mentha Rotundifolia (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Mentha Suaveolens (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Mentha Sylvestris (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Mentha Timija (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Mentha X (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Nigella Arvensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Polygala Arvensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Ranunculus Arvensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Sambucus Canadensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Sanguinaria Canadensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Sinapis Arvensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Solidago Canadensis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Sonchus Arvensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Spergula Arvensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Taxus Canadensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Torilis Arvensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Veronica Arvensis (Plant) Rel Props:Reference:

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1-Methoxyoctane

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Phytochemical Properties

Associated Connections 47

Plant Connections 47