2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid

C20H32O7 — CID 122611414

IUPAC2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid
SMILESCCCCC(OCCOCCOCCOCC)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C20H32O7/c1-3-5-11-20(19(21)22,27-18-9-7-6-8-10-18)26-17-16-25-15-14-24-13-12-23-4-2/h6-10H,3-5,11-17H2,1-2H3,(H,21,22)
InChIKeyBYCBDXVPNQCEHL-UHFFFAOYSA-N
MW384.47 g/mol
LogP3.12
Rot. Bonds17

About 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid

2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid (PubChem CID 122611414) has the molecular formula C20H32O7 and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid
PubChem CID122611414
Molecular FormulaC20H32O7
Molecular Weight384.47 g/mol
Exact Mass384.21
IUPAC Name2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid
SMILESCCCCC(OCCOCCOCCOCC)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C20H32O7/c1-3-5-11-20(19(21)22,27-18-9-7-6-8-10-18)26-17-16-25-15-14-24-13-12-23-4-2/h6-10H,3-5,11-17H2,1-2H3,(H,21,22)
InChIKeyBYCBDXVPNQCEHL-UHFFFAOYSA-N
XLogP3.12
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethoxyethoxy)-2-phenoxyundecanoic acid
CID 122610864
2-phenoxy-2-propoxyhexadecanoic acid
CID 175401556
2,2-diphenoxybutanoic acid
CID 159827255
2-pentyl-2-phenoxyheptanoic acid
CID 150989456
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol
CID 163973331
butoxybenzene;2-ethoxyacetic acid
CID 174498357
1-[2-(2-hydroxyethoxy)ethoxy]-2-phenoxyundecan-2-ol
CID 153313983
2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504
2-fluoro-2-phenoxypentanoic acid
CID 70113612
2-ethoxy-2-(1-phenoxyethyl)octadecanoic acid
CID 174802607
2-ethoxy-2-(2-phenoxyethyl)nonanoic acid
CID 151537515

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid?
The IUPAC name of 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid (CID 122611414) is 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid.
What is the SMILES notation for 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid?
The canonical SMILES for 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid is CCCCC(OCCOCCOCCOCC)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid?
The InChIKey is BYCBDXVPNQCEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O7/c1-3-5-11-20(19(21)22,27-18-9-7-6-8-10-18)26-17-16-25-15-14-24-13-12-23-4-2/h6-10H,3-5,11-17H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid?
2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid has a molecular weight of 384.47 g/mol, XLogP of 3.12, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid is sourced from PubChem (CID 122611414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).