2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid

C12H24O4 — CID 103181524

IUPAC2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid
SMILESCOCCCOCCC(C)(C(=O)O)C(C)C
InChIInChI=1S/C12H24O4/c1-10(2)12(3,11(13)14)6-9-16-8-5-7-15-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyLFUNDHQUOZDEBX-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.18
Rot. Bonds9

About 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid

2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid (PubChem CID 103181524) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid
PubChem CID103181524
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid
SMILESCOCCCOCCC(C)(C(=O)O)C(C)C
InChIInChI=1S/C12H24O4/c1-10(2)12(3,11(13)14)6-9-16-8-5-7-15-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyLFUNDHQUOZDEBX-UHFFFAOYSA-N
XLogP2.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.18
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

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
CID 104565073
2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
CID 112590814
2-(3-methoxypropoxy)-2,5-dimethylhexanoic acid
CID 114993503
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid
CID 83148671
ethyl 2-(aminomethyl)-2-[2-(3-methoxypropoxy)ethyl]-3-methylbutanoate
CID 106488716
tert-butyl 3-(3-methoxypropoxy)propanoate
CID 116659194
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
4-(3-methoxypropoxy)butanoic acid
CID 60918159
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
8-hydroxy-2-methyl-2-propan-2-yloctanoic acid
CID 107704755

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid (CID 103181524) is 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid is COCCCOCCC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid?
The InChIKey is LFUNDHQUOZDEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-10(2)12(3,11(13)14)6-9-16-8-5-7-15-4/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid?
2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid has a molecular weight of 232.32 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 103181524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).