methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole

C18H37N3O3 — CID 159433583

IUPACmethane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
SMILESC.CC(C)CCCCOCCOCCn1cc(COC(C)C)nn1
InChIInChI=1S/C17H33N3O3.CH4/c1-15(2)7-5-6-9-21-11-12-22-10-8-20-13-17(18-19-20)14-23-16(3)4;/h13,15-16H,5-12,14H2,1-4H3;1H4
InChIKeyLRHDWYATQXDNDX-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.70
Rot. Bonds14

About methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole

methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole (PubChem CID 159433583) has the molecular formula C18H37N3O3 and a molecular weight of 343.51 g/mol. Its IUPAC name is methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole.

Molecular Properties

Compound Namemethane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
PubChem CID159433583
Molecular FormulaC18H37N3O3
Molecular Weight343.51 g/mol
Exact Mass343.28
IUPAC Namemethane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
SMILESC.CC(C)CCCCOCCOCCn1cc(COC(C)C)nn1
InChIInChI=1S/C17H33N3O3.CH4/c1-15(2)7-5-6-9-21-11-12-22-10-8-20-13-17(18-19-20)14-23-16(3)4;/h13,15-16H,5-12,14H2,1-4H3;1H4
InChIKeyLRHDWYATQXDNDX-UHFFFAOYSA-N
XLogP3.70
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Decyl-3-methyl-4-(oxiran-2-ylmethoxymethyl)triazol-1-ium iodide
CID 168296711
4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxymethyl]-1-(2-methylpropyl)triazole
CID 88993182
1-Decyl-3-methyl-4-(oxiran-2-ylmethoxymethyl)triazol-1-ium
CID 168294177
1-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
CID 58559417
4-[2-[2-(3,3-Dimethylbutoxy)ethoxy]ethoxymethyl]-1-ethyltriazole
CID 68205536
4-[2-[2-(2-Ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole
CID 70934862
4-(3,3-Dimethylbutoxymethyl)-1-[2-(2,2-dimethylpropoxy)ethyl]triazole
CID 89804427
4-[2-(3-Methylbutoxy)ethoxymethyl]-1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazole
CID 90326522
1-[2-(2-Ethoxyethoxy)ethyl]-4-[2-(3-methylbutoxy)ethoxymethyl]triazole
CID 90326525
1-[2-(2-Methoxyethoxy)ethyl]-4-(2-octadecylicosoxymethyl)triazole
CID 118244294
4-[2-(2-Methoxyethoxy)ethoxymethyl]-1-(2-octadecylhenicosyl)triazole
CID 118244302
4-[2-(2-Methoxyethoxy)ethoxymethyl]-1-(2-tetradecylhexadecyl)triazole
CID 118244370

Frequently Asked Questions

What is the IUPAC name of methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole?
The IUPAC name of methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole (CID 159433583) is methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole.
What is the SMILES notation for methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole?
The canonical SMILES for methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole is C.CC(C)CCCCOCCOCCn1cc(COC(C)C)nn1.
What is the InChIKey of methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole?
The InChIKey is LRHDWYATQXDNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3.CH4/c1-15(2)7-5-6-9-21-11-12-22-10-8-20-13-17(18-19-20)14-23-16(3)4;/h13,15-16H,5-12,14H2,1-4H3;1H4.
What are the key properties of methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole?
methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole has a molecular weight of 343.51 g/mol, XLogP of 3.70, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[2-[2-(5-methylhexoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole is sourced from PubChem (CID 159433583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).