2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate

C21H34O6 — CID 24834477

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCCOCCOCCOCCO)cc1
InChIInChI=1S/C21H34O6/c1-17(2)16-19-4-6-20(7-5-19)18(3)21(23)27-15-14-26-13-12-25-11-10-24-9-8-22/h4-7,17-18,22H,8-16H2,1-3H3
InChIKeyPAOXYFXYDDJJBB-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.57
Rot. Bonds15

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 24834477) has the molecular formula C21H34O6 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID24834477
Molecular FormulaC21H34O6
Molecular Weight382.50 g/mol
Exact Mass382.24
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCCOCCOCCOCCO)cc1
InChIInChI=1S/C21H34O6/c1-17(2)16-19-4-6-20(7-5-19)18(3)21(23)27-15-14-26-13-12-25-11-10-24-9-8-22/h4-7,17-18,22H,8-16H2,1-3H3
InChIKeyPAOXYFXYDDJJBB-UHFFFAOYSA-N
XLogP2.57
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate (CID 24834477) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)OCCOCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is PAOXYFXYDDJJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O6/c1-17(2)16-19-4-6-20(7-5-19)18(3)21(23)27-15-14-26-13-12-25-11-10-24-9-8-22/h4-7,17-18,22H,8-16H2,1-3H3.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 382.50 g/mol, XLogP of 2.57, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 24834477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).