2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol

C26H46O5 — CID 23465356

IUPAC2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCc1ccc(OCCOCCOCCOCCO)c(CCCC)c1CCCC
InChIInChI=1S/C26H46O5/c1-4-7-10-23-13-14-26(25(12-9-6-3)24(23)11-8-5-2)31-22-21-30-20-19-29-18-17-28-16-15-27/h13-14,27H,4-12,15-22H2,1-3H3
InChIKeyYWDJAMUGMYEOPR-UHFFFAOYSA-N
MW438.65 g/mol
LogP5.14
Rot. Bonds21

About 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 23465356) has the molecular formula C26H46O5 and a molecular weight of 438.65 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID23465356
Molecular FormulaC26H46O5
Molecular Weight438.65 g/mol
Exact Mass438.33
IUPAC Name2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCc1ccc(OCCOCCOCCOCCO)c(CCCC)c1CCCC
InChIInChI=1S/C26H46O5/c1-4-7-10-23-13-14-26(25(12-9-6-3)24(23)11-8-5-2)31-22-21-30-20-19-29-18-17-28-16-15-27/h13-14,27H,4-12,15-22H2,1-3H3
InChIKeyYWDJAMUGMYEOPR-UHFFFAOYSA-N
XLogP5.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.65
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol
CID 70975521
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
1,2,3,4-tetrabutylbenzene
CID 11220391
tris(2,3,4-tributylphenyl) borate
CID 68718164
(2,3,4-tripentylphenyl) dihydrogen phosphite
CID 141324371
2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 172695363
2-(4-amino-2-butylphenoxy)ethanol
CID 142157339
2-(2-butyl-3-fluorophenoxy)ethanol
CID 58241917
phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
CID 172726216
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
2,3,4-tris(2,3,4-tributylphenoxy)phenol
CID 67178539
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-butylnaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90397788

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 23465356) is 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol is CCCCc1ccc(OCCOCCOCCOCCO)c(CCCC)c1CCCC.
What is the InChIKey of 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is YWDJAMUGMYEOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O5/c1-4-7-10-23-13-14-26(25(12-9-6-3)24(23)11-8-5-2)31-22-21-30-20-19-29-18-17-28-16-15-27/h13-14,27H,4-12,15-22H2,1-3H3.
What are the key properties of 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 438.65 g/mol, XLogP of 5.14, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 23465356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).