2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid

C10H20O5 — CID 87459019

IUPAC2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OCCOCCOCC(=O)O
InChIInChI=1S/C10H20O5/c1-10(2,3)15-7-6-13-4-5-14-8-9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKeySSKUFNNCQLQEAF-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.92
Rot. Bonds8

About 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid (PubChem CID 87459019) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid
PubChem CID87459019
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OCCOCCOCC(=O)O
InChIInChI=1S/C10H20O5/c1-10(2,3)15-7-6-13-4-5-14-8-9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKeySSKUFNNCQLQEAF-UHFFFAOYSA-N
XLogP0.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid (CID 87459019) is 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid is CC(C)(C)OCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid?
The InChIKey is SSKUFNNCQLQEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-10(2,3)15-7-6-13-4-5-14-8-9(11)12/h4-8H2,1-3H3,(H,11,12).
What are the key properties of 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid has a molecular weight of 220.26 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 87459019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).