2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid

C10H18O5 — CID 59323519

IUPAC2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid
SMILESCCC(CCOC(C)C)(C(=O)O)C(=O)O
InChIInChI=1S/C10H18O5/c1-4-10(8(11)12,9(13)14)5-6-15-7(2)3/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyUWWCQCPEZXLWDS-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.37
Rot. Bonds7

About 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid

2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid (PubChem CID 59323519) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid
PubChem CID59323519
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid
SMILESCCC(CCOC(C)C)(C(=O)O)C(=O)O
InChIInChI=1S/C10H18O5/c1-4-10(8(11)12,9(13)14)5-6-15-7(2)3/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyUWWCQCPEZXLWDS-UHFFFAOYSA-N
XLogP1.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
2-ethoxycarbonyl-2-ethyl-4-(2-methylpropoxy)butanoic acid
CID 106460140
2-(4-acetyloxybutyl)-2-ethylpropanedioic acid
CID 122217540
magnesium;2,2-diethylpropanedioic acid;hydride
CID 173359738
2-ethyl-2-(3-methylpentan-2-yloxycarbonyl)butanoic acid
CID 57151301
1-methylpentane-1,3,3-tricarboxylic acid
CID 23423170
2,2-diethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759072
2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate
CID 123797837
2-methyl-2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 119191930
3,3-bis(chloromethyl)-1-propan-2-yloxypentane
CID 79447328
2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
CID 112555185
2-ethoxycarbonyl-2-ethyl-6-methylheptanoic acid
CID 103974556

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid?
The IUPAC name of 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid (CID 59323519) is 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid.
What is the SMILES notation for 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid?
The canonical SMILES for 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid is CCC(CCOC(C)C)(C(=O)O)C(=O)O.
What is the InChIKey of 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid?
The InChIKey is UWWCQCPEZXLWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-10(8(11)12,9(13)14)5-6-15-7(2)3/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid?
2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid has a molecular weight of 218.25 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid is sourced from PubChem (CID 59323519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).