2,4,4-trimethylpentoxyphosphinous acid

C8H19O2P — CID 172700536

IUPAC2,4,4-trimethylpentoxyphosphinous acid
SMILESCC(COPO)CC(C)(C)C
InChIInChI=1S/C8H19O2P/c1-7(6-10-11-9)5-8(2,3)4/h7,9,11H,5-6H2,1-4H3
InChIKeyCXCUCYHRWSYCLP-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.58
Rot. Bonds4

About 2,4,4-trimethylpentoxyphosphinous acid

2,4,4-trimethylpentoxyphosphinous acid (PubChem CID 172700536) has the molecular formula C8H19O2P and a molecular weight of 178.21 g/mol. Its IUPAC name is 2,4,4-trimethylpentoxyphosphinous acid.

Molecular Properties

Compound Name2,4,4-trimethylpentoxyphosphinous acid
PubChem CID172700536
Molecular FormulaC8H19O2P
Molecular Weight178.21 g/mol
Exact Mass178.11
IUPAC Name2,4,4-trimethylpentoxyphosphinous acid
SMILESCC(COPO)CC(C)(C)C
InChIInChI=1S/C8H19O2P/c1-7(6-10-11-9)5-8(2,3)4/h7,9,11H,5-6H2,1-4H3
InChIKeyCXCUCYHRWSYCLP-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentoxyphosphinous acid?
The IUPAC name of 2,4,4-trimethylpentoxyphosphinous acid (CID 172700536) is 2,4,4-trimethylpentoxyphosphinous acid.
What is the SMILES notation for 2,4,4-trimethylpentoxyphosphinous acid?
The canonical SMILES for 2,4,4-trimethylpentoxyphosphinous acid is CC(COPO)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethylpentoxyphosphinous acid?
The InChIKey is CXCUCYHRWSYCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2P/c1-7(6-10-11-9)5-8(2,3)4/h7,9,11H,5-6H2,1-4H3.
What are the key properties of 2,4,4-trimethylpentoxyphosphinous acid?
2,4,4-trimethylpentoxyphosphinous acid has a molecular weight of 178.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentoxyphosphinous acid is sourced from PubChem (CID 172700536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).