2-ethyl-2-methylpentanedioic acid

C8H14O4 — CID 18402802

IUPAC2-ethyl-2-methylpentanedioic acid
SMILESCCC(C)(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H14O4/c1-3-8(2,7(11)12)5-4-6(9)10/h3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyAMJKBXSGXSAACI-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.35
Rot. Bonds5

About 2-ethyl-2-methylpentanedioic acid

2-ethyl-2-methylpentanedioic acid (PubChem CID 18402802) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-ethyl-2-methylpentanedioic acid.

Molecular Properties

Compound Name2-ethyl-2-methylpentanedioic acid
PubChem CID18402802
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-ethyl-2-methylpentanedioic acid
SMILESCCC(C)(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H14O4/c1-3-8(2,7(11)12)5-4-6(9)10/h3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyAMJKBXSGXSAACI-UHFFFAOYSA-N
XLogP1.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylpentanedioic acid?
The IUPAC name of 2-ethyl-2-methylpentanedioic acid (CID 18402802) is 2-ethyl-2-methylpentanedioic acid.
What is the SMILES notation for 2-ethyl-2-methylpentanedioic acid?
The canonical SMILES for 2-ethyl-2-methylpentanedioic acid is CCC(C)(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-ethyl-2-methylpentanedioic acid?
The InChIKey is AMJKBXSGXSAACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-8(2,7(11)12)5-4-6(9)10/h3-5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-ethyl-2-methylpentanedioic acid?
2-ethyl-2-methylpentanedioic acid has a molecular weight of 174.20 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylpentanedioic acid is sourced from PubChem (CID 18402802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).