2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate

C23H38O7 — CID 156631959

IUPAC2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCCCCC(CC)COCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C23H38O7/c1-3-5-6-20(4-2)19-29-16-15-27-12-11-26-13-14-28-17-18-30-23(25)21-7-9-22(24)10-8-21/h7-10,20,24H,3-6,11-19H2,1-2H3
InChIKeyWBEUKKGMZWBAGU-UHFFFAOYSA-N
MW426.55 g/mol
LogP3.83
Rot. Bonds19

About 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate

2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate (PubChem CID 156631959) has the molecular formula C23H38O7 and a molecular weight of 426.55 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
PubChem CID156631959
Molecular FormulaC23H38O7
Molecular Weight426.55 g/mol
Exact Mass426.26
IUPAC Name2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
SMILESCCCCC(CC)COCCOCCOCCOCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C23H38O7/c1-3-5-6-20(4-2)19-29-16-15-27-12-11-26-13-14-28-17-18-30-23(25)21-7-9-22(24)10-8-21/h7-10,20,24H,3-6,11-19H2,1-2H3
InChIKeyWBEUKKGMZWBAGU-UHFFFAOYSA-N
XLogP3.83
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The IUPAC name of 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate (CID 156631959) is 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate is CCCCC(CC)COCCOCCOCCOCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
The InChIKey is WBEUKKGMZWBAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O7/c1-3-5-6-20(4-2)19-29-16-15-27-12-11-26-13-14-28-17-18-30-23(25)21-7-9-22(24)10-8-21/h7-10,20,24H,3-6,11-19H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate?
2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate has a molecular weight of 426.55 g/mol, XLogP of 3.83, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate is sourced from PubChem (CID 156631959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).