2-[2-(3-methylbutoxy)ethoxy]acetic acid

C9H18O4 — CID 112692943

IUPAC2-[2-(3-methylbutoxy)ethoxy]acetic acid
SMILESCC(C)CCOCCOCC(=O)O
InChIInChI=1S/C9H18O4/c1-8(2)3-4-12-5-6-13-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyNMBIBYNOTFNVJS-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.15
Rot. Bonds8

About 2-[2-(3-methylbutoxy)ethoxy]acetic acid

2-[2-(3-methylbutoxy)ethoxy]acetic acid (PubChem CID 112692943) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)ethoxy]acetic acid
PubChem CID112692943
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-[2-(3-methylbutoxy)ethoxy]acetic acid
SMILESCC(C)CCOCCOCC(=O)O
InChIInChI=1S/C9H18O4/c1-8(2)3-4-12-5-6-13-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyNMBIBYNOTFNVJS-UHFFFAOYSA-N
XLogP1.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(3-methylbutoxy)ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid
CID 163504653
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
ethane-1,2-diol;3-methyl-1-(3-methylbutoxy)butane;bis(2-sulfanylacetic acid)
CID 174646492
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
2-[2-(1-aminoethoxy)ethoxy]acetic acid
CID 19037384
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 126843434
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutoxy)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-methylbutoxy)ethoxy]acetic acid (CID 112692943) is 2-[2-(3-methylbutoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-methylbutoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-methylbutoxy)ethoxy]acetic acid is CC(C)CCOCCOCC(=O)O.
What is the InChIKey of 2-[2-(3-methylbutoxy)ethoxy]acetic acid?
The InChIKey is NMBIBYNOTFNVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-8(2)3-4-12-5-6-13-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 2-[2-(3-methylbutoxy)ethoxy]acetic acid?
2-[2-(3-methylbutoxy)ethoxy]acetic acid has a molecular weight of 190.24 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutoxy)ethoxy]acetic acid is sourced from PubChem (CID 112692943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).