2-(3-methoxypropoxy)-3-methylbutanoic acid

C9H18O4 — CID 60918161

IUPAC2-(3-methoxypropoxy)-3-methylbutanoic acid
SMILESCOCCCOC(C(=O)O)C(C)C
InChIInChI=1S/C9H18O4/c1-7(2)8(9(10)11)13-6-4-5-12-3/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyGCHJHVOHIHUXAM-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.15
Rot. Bonds7

About 2-(3-methoxypropoxy)-3-methylbutanoic acid

2-(3-methoxypropoxy)-3-methylbutanoic acid (PubChem CID 60918161) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-3-methylbutanoic acid
PubChem CID60918161
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-(3-methoxypropoxy)-3-methylbutanoic acid
SMILESCOCCCOC(C(=O)O)C(C)C
InChIInChI=1S/C9H18O4/c1-7(2)8(9(10)11)13-6-4-5-12-3/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyGCHJHVOHIHUXAM-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
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

(2S)-2-butoxy-3-methylbutanoic acid
CID 88938476
2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
CID 90913494
1,5-dimethoxy-6-methylheptan-4-one
CID 114854364
2-butoxy-3-hydroxybutanoic acid
CID 57027353
3-methyl-2-prop-2-enoxybutanoic acid
CID 43128752
2-butoxy-3,5-dihydroxyhexanoic acid
CID 88610477
2-(3-methoxypropoxy)butanamide
CID 62899538
5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid
CID 79083530
3-methoxypropyl 2-sulfanylpropanoate
CID 107018238
2-amino-5-methoxypentanoic acid
CID 18361135
1-(3-methoxypropoxy)-2,2-dimethylpropane-1,3-diol;prop-2-enoic acid
CID 175711628
ethyl 2-(3-methoxypropoxy)butanoate
CID 64661459

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-3-methylbutanoic acid?
The IUPAC name of 2-(3-methoxypropoxy)-3-methylbutanoic acid (CID 60918161) is 2-(3-methoxypropoxy)-3-methylbutanoic acid.
What is the SMILES notation for 2-(3-methoxypropoxy)-3-methylbutanoic acid?
The canonical SMILES for 2-(3-methoxypropoxy)-3-methylbutanoic acid is COCCCOC(C(=O)O)C(C)C.
What is the InChIKey of 2-(3-methoxypropoxy)-3-methylbutanoic acid?
The InChIKey is GCHJHVOHIHUXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-7(2)8(9(10)11)13-6-4-5-12-3/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-(3-methoxypropoxy)-3-methylbutanoic acid?
2-(3-methoxypropoxy)-3-methylbutanoic acid has a molecular weight of 190.24 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-3-methylbutanoic acid is sourced from PubChem (CID 60918161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).