2-(2-methyl-2-propoxypropoxy)acetic acid

C9H18O4 — CID 57089609

IUPAC2-(2-methyl-2-propoxypropoxy)acetic acid
SMILESCCCOC(C)(C)COCC(=O)O
InChIInChI=1S/C9H18O4/c1-4-5-13-9(2,3)7-12-6-8(10)11/h4-7H2,1-3H3,(H,10,11)
InChIKeyJHBYFFWDKBQANN-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.29
Rot. Bonds7

About 2-(2-methyl-2-propoxypropoxy)acetic acid

2-(2-methyl-2-propoxypropoxy)acetic acid (PubChem CID 57089609) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(2-methyl-2-propoxypropoxy)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-2-propoxypropoxy)acetic acid
PubChem CID57089609
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-(2-methyl-2-propoxypropoxy)acetic acid
SMILESCCCOC(C)(C)COCC(=O)O
InChIInChI=1S/C9H18O4/c1-4-5-13-9(2,3)7-12-6-8(10)11/h4-7H2,1-3H3,(H,10,11)
InChIKeyJHBYFFWDKBQANN-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-propoxypropoxy)acetic acid?
The IUPAC name of 2-(2-methyl-2-propoxypropoxy)acetic acid (CID 57089609) is 2-(2-methyl-2-propoxypropoxy)acetic acid.
What is the SMILES notation for 2-(2-methyl-2-propoxypropoxy)acetic acid?
The canonical SMILES for 2-(2-methyl-2-propoxypropoxy)acetic acid is CCCOC(C)(C)COCC(=O)O.
What is the InChIKey of 2-(2-methyl-2-propoxypropoxy)acetic acid?
The InChIKey is JHBYFFWDKBQANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-5-13-9(2,3)7-12-6-8(10)11/h4-7H2,1-3H3,(H,10,11).
What are the key properties of 2-(2-methyl-2-propoxypropoxy)acetic acid?
2-(2-methyl-2-propoxypropoxy)acetic acid has a molecular weight of 190.24 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-propoxypropoxy)acetic acid is sourced from PubChem (CID 57089609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).