ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid

C6H15O3P — CID 139581745

IUPACethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
SMILESCCP(=O)(O)OC(C)(C)C
InChIInChI=1S/C6H15O3P/c1-5-10(7,8)9-6(2,3)4/h5H2,1-4H3,(H,7,8)
InChIKeySTGGBJNSVWGCSI-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.01
Rot. Bonds2

About ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid

ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid (PubChem CID 139581745) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid.

Molecular Properties

Compound Nameethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
PubChem CID139581745
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Nameethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
SMILESCCP(=O)(O)OC(C)(C)C
InChIInChI=1S/C6H15O3P/c1-5-10(7,8)9-6(2,3)4/h5H2,1-4H3,(H,7,8)
InChIKeySTGGBJNSVWGCSI-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl(hydroperoxy)phosphinic acid
CID 54175112
CID 131873404
CID 131873404
ethyl(hydroperoxy)phosphinic acid;rhenium
CID 174770512
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
CID 158213950
2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane
CID 91347347
ditert-butyl hydrogen phosphate;tetrabutylazanium
CID 86222702
tert-butyl methoxy hydrogen phosphate
CID 172731458
1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]butane
CID 140980229
CID 87274277
CID 87274277
4,4-dimethylhex-1-en-5-yn-3-yloxy(ethyl)phosphinic acid
CID 118644130
ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87623347
butoxy(ethyl)phosphinic acid
CID 71353007

Frequently Asked Questions

What is the IUPAC name of ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid?
The IUPAC name of ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid (CID 139581745) is ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid.
What is the SMILES notation for ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid?
The canonical SMILES for ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid is CCP(=O)(O)OC(C)(C)C.
What is the InChIKey of ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid?
The InChIKey is STGGBJNSVWGCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-5-10(7,8)9-6(2,3)4/h5H2,1-4H3,(H,7,8).
What are the key properties of ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid?
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid has a molecular weight of 166.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid is sourced from PubChem (CID 139581745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).