2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid

C10H20O4 — CID 88952323

IUPAC2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid
SMILESCCC(CC)(CCOC)OCC(=O)O
InChIInChI=1S/C10H20O4/c1-4-10(5-2,6-7-13-3)14-8-9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKeyVERQZQVFWGIQMU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.68
Rot. Bonds8

About 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid

2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid (PubChem CID 88952323) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid
PubChem CID88952323
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid
SMILESCCC(CC)(CCOC)OCC(=O)O
InChIInChI=1S/C10H20O4/c1-4-10(5-2,6-7-13-3)14-8-9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKeyVERQZQVFWGIQMU-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid
CID 106487407
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
2-methoxyacetic acid;titanium
CID 174298740
2-methoxyacetic acid;silver
CID 158784523
2-[5-(1-amino-3-ethylpentan-3-yl)oxy-2-ethyl-2-methylpentoxy]acetic acid
CID 163524950
2-fluoro-2-(2-methoxyethyl)propanedioic acid
CID 122239756
2-(2-ethoxypropan-2-yloxy)acetic acid
CID 89112124
2-methoxyacetic acid;oxalic acid
CID 162328994
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
CID 142009252

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid?
The IUPAC name of 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid (CID 88952323) is 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid?
The canonical SMILES for 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid is CCC(CC)(CCOC)OCC(=O)O.
What is the InChIKey of 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid?
The InChIKey is VERQZQVFWGIQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-10(5-2,6-7-13-3)14-8-9(11)12/h4-8H2,1-3H3,(H,11,12).
What are the key properties of 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid?
2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid has a molecular weight of 204.27 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methoxypentan-3-yl)oxyacetic acid is sourced from PubChem (CID 88952323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).