2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid

C21H34O5 — CID 122610864

IUPAC2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid
SMILESCCCCCCCCCC(OCCOCC)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C21H34O5/c1-3-5-6-7-8-9-13-16-21(20(22)23,25-18-17-24-4-2)26-19-14-11-10-12-15-19/h10-12,14-15H,3-9,13,16-18H2,1-2H3,(H,22,23)
InChIKeyHGUDEAGRPUANTI-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.04
Rot. Bonds16

About 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid

2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid (PubChem CID 122610864) has the molecular formula C21H34O5 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid
PubChem CID122610864
Molecular FormulaC21H34O5
Molecular Weight366.50 g/mol
Exact Mass366.24
IUPAC Name2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid
SMILESCCCCCCCCCC(OCCOCC)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C21H34O5/c1-3-5-6-7-8-9-13-16-21(20(22)23,25-18-17-24-4-2)26-19-14-11-10-12-15-19/h10-12,14-15H,3-9,13,16-18H2,1-2H3,(H,22,23)
InChIKeyHGUDEAGRPUANTI-UHFFFAOYSA-N
XLogP5.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid
CID 122611414
2-phenoxy-2-propoxyhexadecanoic acid
CID 175401556
2-pentyl-2-phenoxyheptanoic acid
CID 150989456
2,2-diphenoxybutanoic acid
CID 159827255
2-ethoxy-2-(1-phenoxyethyl)octadecanoic acid
CID 174802607
2-ethoxy-2-(2-phenoxyethyl)nonanoic acid
CID 151537515
1,1-diphenoxydecoxybenzene
CID 150135541
1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol
CID 153313983
(Z)-2-ethyl-2-phenoxyoctadec-9-enoic acid
CID 67329691
2-phenoxyheptan-2-yl carbamate
CID 70560200
(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
CID 150202731
2-(1,1-diphenoxynonyl)phenol
CID 66866946

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid?
The IUPAC name of 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid (CID 122610864) is 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid.
What is the SMILES notation for 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid?
The canonical SMILES for 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid is CCCCCCCCCC(OCCOCC)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid?
The InChIKey is HGUDEAGRPUANTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O5/c1-3-5-6-7-8-9-13-16-21(20(22)23,25-18-17-24-4-2)26-19-14-11-10-12-15-19/h10-12,14-15H,3-9,13,16-18H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid?
2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid has a molecular weight of 366.50 g/mol, XLogP of 5.04, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-2-phenoxyundecanoic acid is sourced from PubChem (CID 122610864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).