2-formyloxy-4,4-dimethylpentanoic acid

C8H14O4 — CID 167420755

IUPAC2-formyloxy-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(OC=O)C(=O)O
InChIInChI=1S/C8H14O4/c1-8(2,3)4-6(7(10)11)12-5-9/h5-6H,4H2,1-3H3,(H,10,11)
InChIKeyUISMVZPMOBVVTN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.05
Rot. Bonds4

About 2-formyloxy-4,4-dimethylpentanoic acid

2-formyloxy-4,4-dimethylpentanoic acid (PubChem CID 167420755) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-formyloxy-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-formyloxy-4,4-dimethylpentanoic acid
PubChem CID167420755
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-formyloxy-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(OC=O)C(=O)O
InChIInChI=1S/C8H14O4/c1-8(2,3)4-6(7(10)11)12-5-9/h5-6H,4H2,1-3H3,(H,10,11)
InChIKeyUISMVZPMOBVVTN-UHFFFAOYSA-N
XLogP1.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyloxy-4,4-dimethylpentanoic acid?
The IUPAC name of 2-formyloxy-4,4-dimethylpentanoic acid (CID 167420755) is 2-formyloxy-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-formyloxy-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-formyloxy-4,4-dimethylpentanoic acid is CC(C)(C)CC(OC=O)C(=O)O.
What is the InChIKey of 2-formyloxy-4,4-dimethylpentanoic acid?
The InChIKey is UISMVZPMOBVVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(2,3)4-6(7(10)11)12-5-9/h5-6H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-formyloxy-4,4-dimethylpentanoic acid?
2-formyloxy-4,4-dimethylpentanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyloxy-4,4-dimethylpentanoic acid is sourced from PubChem (CID 167420755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).