2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol

C34H62N6O8 — CID 139212566

IUPAC2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol
SMILESC=CCCCCCc1cn(CCOCCOCCOCCO)nn1.C=CCCCCCc1cn(CCOCCOCCOCCO)nn1
InChIInChI=1S/2C17H31N3O4/c2*1-2-3-4-5-6-7-17-16-20(19-18-17)8-10-22-12-14-24-15-13-23-11-9-21/h2*2,16,21H,1,3-15H2
InChIKeyRMSOYRHXBRCQRF-UHFFFAOYSA-N
MW682.90 g/mol
LogP3.22
Rot. Bonds34

About 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 139212566) has the molecular formula C34H62N6O8 and a molecular weight of 682.90 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID139212566
Molecular FormulaC34H62N6O8
Molecular Weight682.90 g/mol
Exact Mass682.46
IUPAC Name2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol
SMILESC=CCCCCCc1cn(CCOCCOCCOCCO)nn1.C=CCCCCCc1cn(CCOCCOCCOCCO)nn1
InChIInChI=1S/2C17H31N3O4/c2*1-2-3-4-5-6-7-17-16-20(19-18-17)8-10-22-12-14-24-15-13-23-11-9-21/h2*2,16,21H,1,3-15H2
InChIKeyRMSOYRHXBRCQRF-UHFFFAOYSA-N
XLogP3.22
TPSA157.26 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.90
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

1-hex-5-enyl-4-undecyltriazole
CID 170718913
2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol
CID 102409372
2-[2-[2-[2-[4-[[bis[[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol
CID 102046479
1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
CID 167478835
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol
CID 103412240
1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90985884
2-[2-(1-ethyltriazol-4-yl)ethoxy]ethanol
CID 155740435
1-[2-[2-[2-[2-[2-[5-[2-(3,3-dimethylbutoxy)ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3,3-dimethylbutyl)triazole
CID 170094680
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 174340368
1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole
CID 146355749
5-[1-(2-ethoxyethyl)triazol-4-yl]pentanoic acid
CID 104538690

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol (CID 139212566) is 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol is C=CCCCCCc1cn(CCOCCOCCOCCO)nn1.C=CCCCCCc1cn(CCOCCOCCOCCO)nn1.
What is the InChIKey of 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is RMSOYRHXBRCQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H31N3O4/c2*1-2-3-4-5-6-7-17-16-20(19-18-17)8-10-22-12-14-24-15-13-23-11-9-21/h2*2,16,21H,1,3-15H2.
What are the key properties of 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 682.90 g/mol, XLogP of 3.22, 34 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139212566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).