2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol

C23H40O4 — CID 139672885

IUPAC2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCCCc1ccc(OCCOCCOCCO)cc1
InChIInChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-22-12-14-23(15-13-22)27-21-20-26-19-18-25-17-16-24/h12-15,24H,2-11,16-21H2,1H3
InChIKeyDDBATXARPCNWOM-UHFFFAOYSA-N
MW380.57 g/mol
LogP5.16
Rot. Bonds19

About 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol (PubChem CID 139672885) has the molecular formula C23H40O4 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
PubChem CID139672885
Molecular FormulaC23H40O4
Molecular Weight380.57 g/mol
Exact Mass380.29
IUPAC Name2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCCCc1ccc(OCCOCCOCCO)cc1
InChIInChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-22-12-14-23(15-13-22)27-21-20-26-19-18-25-17-16-24/h12-15,24H,2-11,16-21H2,1H3
InChIKeyDDBATXARPCNWOM-UHFFFAOYSA-N
XLogP5.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol
CID 57157923
2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 24748856
1-hexoxy-4-pentylbenzene
CID 54277450
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol
CID 175472561
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 132605048
azane;2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 173063713
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 102201991
5-(4-butylphenoxy)pentan-1-ol
CID 113322723

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol (CID 139672885) is 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol is CCCCCCCCCCCc1ccc(OCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol?
The InChIKey is DDBATXARPCNWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-22-12-14-23(15-13-22)27-21-20-26-19-18-25-17-16-24/h12-15,24H,2-11,16-21H2,1H3.
What are the key properties of 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol has a molecular weight of 380.57 g/mol, XLogP of 5.16, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139672885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).