methyl(2-methylpropoxy)phosphinous acid

C5H13O2P — CID 54363681

IUPACmethyl(2-methylpropoxy)phosphinous acid
SMILESCC(C)COP(C)O
InChIInChI=1S/C5H13O2P/c1-5(2)4-7-8(3)6/h5-6H,4H2,1-3H3
InChIKeyUOGSWUJGNVJRKT-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.59
Rot. Bonds3

About methyl(2-methylpropoxy)phosphinous acid

methyl(2-methylpropoxy)phosphinous acid (PubChem CID 54363681) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is methyl(2-methylpropoxy)phosphinous acid.

Molecular Properties

Compound Namemethyl(2-methylpropoxy)phosphinous acid
PubChem CID54363681
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Namemethyl(2-methylpropoxy)phosphinous acid
SMILESCC(C)COP(C)O
InChIInChI=1S/C5H13O2P/c1-5(2)4-7-8(3)6/h5-6H,4H2,1-3H3
InChIKeyUOGSWUJGNVJRKT-UHFFFAOYSA-N
XLogP1.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.59
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 methyl(2-methylpropoxy)phosphinous acid?
The IUPAC name of methyl(2-methylpropoxy)phosphinous acid (CID 54363681) is methyl(2-methylpropoxy)phosphinous acid.
What is the SMILES notation for methyl(2-methylpropoxy)phosphinous acid?
The canonical SMILES for methyl(2-methylpropoxy)phosphinous acid is CC(C)COP(C)O.
What is the InChIKey of methyl(2-methylpropoxy)phosphinous acid?
The InChIKey is UOGSWUJGNVJRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-5(2)4-7-8(3)6/h5-6H,4H2,1-3H3.
What are the key properties of methyl(2-methylpropoxy)phosphinous acid?
methyl(2-methylpropoxy)phosphinous acid has a molecular weight of 136.13 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-methylpropoxy)phosphinous acid is sourced from PubChem (CID 54363681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).