bis(2-methylpropyl)phosphinous acid

C8H19OP — CID 15180441

IUPACbis(2-methylpropyl)phosphinous acid
SMILESCC(C)CP(O)CC(C)C
InChIInChI=1S/C8H19OP/c1-7(2)5-10(9)6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyOXJFGEYWFWZABX-UHFFFAOYSA-N
MW162.21 g/mol
LogP2.69
Rot. Bonds4

About bis(2-methylpropyl)phosphinous acid

bis(2-methylpropyl)phosphinous acid (PubChem CID 15180441) has the molecular formula C8H19OP and a molecular weight of 162.21 g/mol. Its IUPAC name is bis(2-methylpropyl)phosphinous acid.

Molecular Properties

Compound Namebis(2-methylpropyl)phosphinous acid
PubChem CID15180441
Molecular FormulaC8H19OP
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Namebis(2-methylpropyl)phosphinous acid
SMILESCC(C)CP(O)CC(C)C
InChIInChI=1S/C8H19OP/c1-7(2)5-10(9)6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyOXJFGEYWFWZABX-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)phosphinous acid?
The IUPAC name of bis(2-methylpropyl)phosphinous acid (CID 15180441) is bis(2-methylpropyl)phosphinous acid.
What is the SMILES notation for bis(2-methylpropyl)phosphinous acid?
The canonical SMILES for bis(2-methylpropyl)phosphinous acid is CC(C)CP(O)CC(C)C.
What is the InChIKey of bis(2-methylpropyl)phosphinous acid?
The InChIKey is OXJFGEYWFWZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19OP/c1-7(2)5-10(9)6-8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of bis(2-methylpropyl)phosphinous acid?
bis(2-methylpropyl)phosphinous acid has a molecular weight of 162.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)phosphinous acid is sourced from PubChem (CID 15180441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).