3-(2-butoxyethoxy)-2-methylpropanoic acid

C10H20O4 — CID 43537971

IUPAC3-(2-butoxyethoxy)-2-methylpropanoic acid
SMILESCCCCOCCOCC(C)C(=O)O
InChIInChI=1S/C10H20O4/c1-3-4-5-13-6-7-14-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyDXPJMWOZKBAWGT-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.54
Rot. Bonds9

About 3-(2-butoxyethoxy)-2-methylpropanoic acid

3-(2-butoxyethoxy)-2-methylpropanoic acid (PubChem CID 43537971) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-2-methylpropanoic acid
PubChem CID43537971
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name3-(2-butoxyethoxy)-2-methylpropanoic acid
SMILESCCCCOCCOCC(C)C(=O)O
InChIInChI=1S/C10H20O4/c1-3-4-5-13-6-7-14-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyDXPJMWOZKBAWGT-UHFFFAOYSA-N
XLogP1.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
(2R)-3-butoxy-2-(methylamino)propanoic acid
CID 89283521
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid
CID 174568583
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfinyl]-2-methylpropanoic acid
CID 104565641
3-(2-butoxyethoxy)-2-methylpropanethioamide
CID 43175344
3-(2-butoxyethylamino)-2-methylpropanoic acid
CID 61171284
4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
CID 63041335
acetic acid;1-butoxybutane
CID 22256220
1-butoxypropan-2-ol;propanoic acid
CID 87504807
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-2-methylpropanoic acid?
The IUPAC name of 3-(2-butoxyethoxy)-2-methylpropanoic acid (CID 43537971) is 3-(2-butoxyethoxy)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-butoxyethoxy)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-butoxyethoxy)-2-methylpropanoic acid is CCCCOCCOCC(C)C(=O)O.
What is the InChIKey of 3-(2-butoxyethoxy)-2-methylpropanoic acid?
The InChIKey is DXPJMWOZKBAWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-4-5-13-6-7-14-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 3-(2-butoxyethoxy)-2-methylpropanoic acid?
3-(2-butoxyethoxy)-2-methylpropanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-2-methylpropanoic acid is sourced from PubChem (CID 43537971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).