bis(2-methylpropyl)-oxophosphanium

C8H18OP+ — CID 14146620

IUPACbis(2-methylpropyl)-oxophosphanium
SMILESCC(C)C[P+](=O)CC(C)C
InChIInChI=1S/C8H18OP/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyNMVPIHAFIKEQCQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP3.13
Rot. Bonds4

About bis(2-methylpropyl)-oxophosphanium

bis(2-methylpropyl)-oxophosphanium (PubChem CID 14146620) has the molecular formula C8H18OP+ and a molecular weight of 161.20 g/mol. Its IUPAC name is bis(2-methylpropyl)-oxophosphanium.

Molecular Properties

Compound Namebis(2-methylpropyl)-oxophosphanium
PubChem CID14146620
Molecular FormulaC8H18OP+
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namebis(2-methylpropyl)-oxophosphanium
SMILESCC(C)C[P+](=O)CC(C)C
InChIInChI=1S/C8H18OP/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyNMVPIHAFIKEQCQ-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
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)-oxophosphanium?
The IUPAC name of bis(2-methylpropyl)-oxophosphanium (CID 14146620) is bis(2-methylpropyl)-oxophosphanium.
What is the SMILES notation for bis(2-methylpropyl)-oxophosphanium?
The canonical SMILES for bis(2-methylpropyl)-oxophosphanium is CC(C)C[P+](=O)CC(C)C.
What is the InChIKey of bis(2-methylpropyl)-oxophosphanium?
The InChIKey is NMVPIHAFIKEQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OP/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3/q+1.
What are the key properties of bis(2-methylpropyl)-oxophosphanium?
bis(2-methylpropyl)-oxophosphanium has a molecular weight of 161.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-oxophosphanium is sourced from PubChem (CID 14146620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).