5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid

C10H18O5 — CID 135339214

IUPAC5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid
SMILESCOCCOC(=O)CCC(C)(C)C(=O)O
InChIInChI=1S/C10H18O5/c1-10(2,9(12)13)5-4-8(11)15-7-6-14-3/h4-7H2,1-3H3,(H,12,13)
InChIKeyCQJIHVUFJYBOEE-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.07
Rot. Bonds7

About 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid

5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid (PubChem CID 135339214) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid
PubChem CID135339214
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid
SMILESCOCCOC(=O)CCC(C)(C)C(=O)O
InChIInChI=1S/C10H18O5/c1-10(2,9(12)13)5-4-8(11)15-7-6-14-3/h4-7H2,1-3H3,(H,12,13)
InChIKeyCQJIHVUFJYBOEE-UHFFFAOYSA-N
XLogP1.07
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate
CID 104562890
4-(2-methoxyethylsulfanyl)-2,2-dimethylbutanoic acid
CID 65252904
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
2-methoxyethyl 5-methoxypentanoate
CID 58454735
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
6-[3-methoxypropyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106714036
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
6-(3-methoxypropylsulfanyl)-2,2-dimethylhexanoic acid
CID 106714500
2-(2,2-dimethylpropanoyloxy)ethyl 4,4-dimethylpentanoate
CID 177089265
1-O-(2-hydroxyethyl) 6-O-(2-methoxyethyl) 3-cyano-2,3-dimethyl-2-(sulfanylmethyl)hexanedioate
CID 176775681
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid (CID 135339214) is 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid is COCCOC(=O)CCC(C)(C)C(=O)O.
What is the InChIKey of 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid?
The InChIKey is CQJIHVUFJYBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-10(2,9(12)13)5-4-8(11)15-7-6-14-3/h4-7H2,1-3H3,(H,12,13).
What are the key properties of 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid?
5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid has a molecular weight of 218.25 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 135339214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).