2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid

C11H22O3 — CID 106454883

IUPAC2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
SMILESCCC(C)(CCOCC(C)C)C(=O)O
InChIInChI=1S/C11H22O3/c1-5-11(4,10(12)13)6-7-14-8-9(2)3/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyJVPKBXSOTHULGU-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.55
Rot. Bonds7

About 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid

2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid (PubChem CID 106454883) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
PubChem CID106454883
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
SMILESCCC(C)(CCOCC(C)C)C(=O)O
InChIInChI=1S/C11H22O3/c1-5-11(4,10(12)13)6-7-14-8-9(2)3/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyJVPKBXSOTHULGU-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid
CID 79425713
2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448821
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
2-ethoxycarbonyl-2-ethyl-4-(2-methylpropoxy)butanoic acid
CID 106460140
4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid
CID 87061140
1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
CID 106459785
2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
CID 106448940
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
3-(2-methylpropoxy)propanoic acid
CID 15033462
2,2,3-trimethyl-3-[2-(2-methylpropoxy)ethylamino]butanoic acid
CID 106454728
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
2-ethyl-2,7,7-trimethyloctanoic acid
CID 139673893

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid?
The IUPAC name of 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid (CID 106454883) is 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid.
What is the SMILES notation for 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid?
The canonical SMILES for 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid is CCC(C)(CCOCC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid?
The InChIKey is JVPKBXSOTHULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-11(4,10(12)13)6-7-14-8-9(2)3/h9H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid?
2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid is sourced from PubChem (CID 106454883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).