2,2,4,4-tetramethylpentylarsanylformic acid

C10H21AsO2 — CID 173401670

IUPAC2,2,4,4-tetramethylpentylarsanylformic acid
SMILESCC(C)(C)CC(C)(C)C[AsH]C(=O)O
InChIInChI=1S/C10H21AsO2/c1-9(2,3)6-10(4,5)7-11-8(12)13/h11H,6-7H2,1-5H3,(H,12,13)
InChIKeyQXVGYRFFKBNYMX-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.98
Rot. Bonds4

About 2,2,4,4-tetramethylpentylarsanylformic acid

2,2,4,4-tetramethylpentylarsanylformic acid (PubChem CID 173401670) has the molecular formula C10H21AsO2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentylarsanylformic acid.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentylarsanylformic acid
PubChem CID173401670
Molecular FormulaC10H21AsO2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2,2,4,4-tetramethylpentylarsanylformic acid
SMILESCC(C)(C)CC(C)(C)C[AsH]C(=O)O
InChIInChI=1S/C10H21AsO2/c1-9(2,3)6-10(4,5)7-11-8(12)13/h11H,6-7H2,1-5H3,(H,12,13)
InChIKeyQXVGYRFFKBNYMX-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpentylarsanylformic acid?
The IUPAC name of 2,2,4,4-tetramethylpentylarsanylformic acid (CID 173401670) is 2,2,4,4-tetramethylpentylarsanylformic acid.
What is the SMILES notation for 2,2,4,4-tetramethylpentylarsanylformic acid?
The canonical SMILES for 2,2,4,4-tetramethylpentylarsanylformic acid is CC(C)(C)CC(C)(C)C[AsH]C(=O)O.
What is the InChIKey of 2,2,4,4-tetramethylpentylarsanylformic acid?
The InChIKey is QXVGYRFFKBNYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21AsO2/c1-9(2,3)6-10(4,5)7-11-8(12)13/h11H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2,2,4,4-tetramethylpentylarsanylformic acid?
2,2,4,4-tetramethylpentylarsanylformic acid has a molecular weight of 248.20 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentylarsanylformic acid is sourced from PubChem (CID 173401670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).