oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium

C9H20O2P+ — CID 126625988

IUPACoxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium
SMILESCCC(CC)OC[P+](=O)C(C)C
InChIInChI=1S/C9H20O2P/c1-5-9(6-2)11-7-12(10)8(3)4/h8-9H,5-7H2,1-4H3/q+1
InChIKeyBUURQBPDKZWPIE-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.38
Rot. Bonds6

About oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium

oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium (PubChem CID 126625988) has the molecular formula C9H20O2P+ and a molecular weight of 191.23 g/mol. Its IUPAC name is oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium.

Molecular Properties

Compound Nameoxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium
PubChem CID126625988
Molecular FormulaC9H20O2P+
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Nameoxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium
SMILESCCC(CC)OC[P+](=O)C(C)C
InChIInChI=1S/C9H20O2P/c1-5-9(6-2)11-7-12(10)8(3)4/h8-9H,5-7H2,1-4H3/q+1
InChIKeyBUURQBPDKZWPIE-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.38
H-Bond Donors ≤ 50
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 oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium?
The IUPAC name of oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium (CID 126625988) is oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium.
What is the SMILES notation for oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium?
The canonical SMILES for oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium is CCC(CC)OC[P+](=O)C(C)C.
What is the InChIKey of oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium?
The InChIKey is BUURQBPDKZWPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2P/c1-5-9(6-2)11-7-12(10)8(3)4/h8-9H,5-7H2,1-4H3/q+1.
What are the key properties of oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium?
oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium has a molecular weight of 191.23 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium is sourced from PubChem (CID 126625988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).