5,5-dimethoxypentanoic acid

C7H14O4 — CID 11805072

IUPAC5,5-dimethoxypentanoic acid
SMILESCOC(CCCC(=O)O)OC
InChIInChI=1S/C7H14O4/c1-10-7(11-2)5-3-4-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyQFGMIDHGDONRJQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.86
Rot. Bonds6

About 5,5-dimethoxypentanoic acid

5,5-dimethoxypentanoic acid (PubChem CID 11805072) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 5,5-dimethoxypentanoic acid.

Molecular Properties

Compound Name5,5-dimethoxypentanoic acid
PubChem CID11805072
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name5,5-dimethoxypentanoic acid
SMILESCOC(CCCC(=O)O)OC
InChIInChI=1S/C7H14O4/c1-10-7(11-2)5-3-4-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyQFGMIDHGDONRJQ-UHFFFAOYSA-N
XLogP0.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxypentanoic acid?
The IUPAC name of 5,5-dimethoxypentanoic acid (CID 11805072) is 5,5-dimethoxypentanoic acid.
What is the SMILES notation for 5,5-dimethoxypentanoic acid?
The canonical SMILES for 5,5-dimethoxypentanoic acid is COC(CCCC(=O)O)OC.
What is the InChIKey of 5,5-dimethoxypentanoic acid?
The InChIKey is QFGMIDHGDONRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-10-7(11-2)5-3-4-6(8)9/h7H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 5,5-dimethoxypentanoic acid?
5,5-dimethoxypentanoic acid has a molecular weight of 162.19 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxypentanoic acid is sourced from PubChem (CID 11805072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).