3,3-dipropylpentanedioic acid

C11H20O4 — CID 23422718

IUPAC3,3-dipropylpentanedioic acid
SMILESCCCC(CCC)(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H20O4/c1-3-5-11(6-4-2,7-9(12)13)8-10(14)15/h3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQGDILUQZCFRJIL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.52
Rot. Bonds8

About 3,3-dipropylpentanedioic acid

3,3-dipropylpentanedioic acid (PubChem CID 23422718) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3,3-dipropylpentanedioic acid.

Molecular Properties

Compound Name3,3-dipropylpentanedioic acid
PubChem CID23422718
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name3,3-dipropylpentanedioic acid
SMILESCCCC(CCC)(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H20O4/c1-3-5-11(6-4-2,7-9(12)13)8-10(14)15/h3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQGDILUQZCFRJIL-UHFFFAOYSA-N
XLogP2.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dipropylpentanedioic acid?
The IUPAC name of 3,3-dipropylpentanedioic acid (CID 23422718) is 3,3-dipropylpentanedioic acid.
What is the SMILES notation for 3,3-dipropylpentanedioic acid?
The canonical SMILES for 3,3-dipropylpentanedioic acid is CCCC(CCC)(CC(=O)O)CC(=O)O.
What is the InChIKey of 3,3-dipropylpentanedioic acid?
The InChIKey is QGDILUQZCFRJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-5-11(6-4-2,7-9(12)13)8-10(14)15/h3-8H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3,3-dipropylpentanedioic acid?
3,3-dipropylpentanedioic acid has a molecular weight of 216.28 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipropylpentanedioic acid is sourced from PubChem (CID 23422718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).