2-methylpropyl(propan-2-yloxy)phosphinous acid

C7H17O2P — CID 170206646

IUPAC2-methylpropyl(propan-2-yloxy)phosphinous acid
SMILESCC(C)CP(O)OC(C)C
InChIInChI=1S/C7H17O2P/c1-6(2)5-10(8)9-7(3)4/h6-8H,5H2,1-4H3
InChIKeyWVKWOKNYVHNRBM-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.37
Rot. Bonds4

About 2-methylpropyl(propan-2-yloxy)phosphinous acid

2-methylpropyl(propan-2-yloxy)phosphinous acid (PubChem CID 170206646) has the molecular formula C7H17O2P and a molecular weight of 164.19 g/mol. Its IUPAC name is 2-methylpropyl(propan-2-yloxy)phosphinous acid.

Molecular Properties

Compound Name2-methylpropyl(propan-2-yloxy)phosphinous acid
PubChem CID170206646
Molecular FormulaC7H17O2P
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name2-methylpropyl(propan-2-yloxy)phosphinous acid
SMILESCC(C)CP(O)OC(C)C
InChIInChI=1S/C7H17O2P/c1-6(2)5-10(8)9-7(3)4/h6-8H,5H2,1-4H3
InChIKeyWVKWOKNYVHNRBM-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.37
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-methylpropyl(propan-2-yloxy)phosphinous acid?
The IUPAC name of 2-methylpropyl(propan-2-yloxy)phosphinous acid (CID 170206646) is 2-methylpropyl(propan-2-yloxy)phosphinous acid.
What is the SMILES notation for 2-methylpropyl(propan-2-yloxy)phosphinous acid?
The canonical SMILES for 2-methylpropyl(propan-2-yloxy)phosphinous acid is CC(C)CP(O)OC(C)C.
What is the InChIKey of 2-methylpropyl(propan-2-yloxy)phosphinous acid?
The InChIKey is WVKWOKNYVHNRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2P/c1-6(2)5-10(8)9-7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-methylpropyl(propan-2-yloxy)phosphinous acid?
2-methylpropyl(propan-2-yloxy)phosphinous acid has a molecular weight of 164.19 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl(propan-2-yloxy)phosphinous acid is sourced from PubChem (CID 170206646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).