oxo(dipentoxy)phosphanium

C10H22O3P+ — CID 12844417

IUPACoxo(dipentoxy)phosphanium
SMILESCCCCCO[P+](=O)OCCCCC
InChIInChI=1S/C10H22O3P/c1-3-5-7-9-12-14(11)13-10-8-6-4-2/h3-10H2,1-2H3/q+1
InChIKeyXIJARCRSLONVDJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP4.06
Rot. Bonds10

About oxo(dipentoxy)phosphanium

oxo(dipentoxy)phosphanium (PubChem CID 12844417) has the molecular formula C10H22O3P+ and a molecular weight of 221.26 g/mol. Its IUPAC name is oxo(dipentoxy)phosphanium.

Molecular Properties

Compound Nameoxo(dipentoxy)phosphanium
PubChem CID12844417
Molecular FormulaC10H22O3P+
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Nameoxo(dipentoxy)phosphanium
SMILESCCCCCO[P+](=O)OCCCCC
InChIInChI=1S/C10H22O3P/c1-3-5-7-9-12-14(11)13-10-8-6-4-2/h3-10H2,1-2H3/q+1
InChIKeyXIJARCRSLONVDJ-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo(dipentoxy)phosphanium?
The IUPAC name of oxo(dipentoxy)phosphanium (CID 12844417) is oxo(dipentoxy)phosphanium.
What is the SMILES notation for oxo(dipentoxy)phosphanium?
The canonical SMILES for oxo(dipentoxy)phosphanium is CCCCCO[P+](=O)OCCCCC.
What is the InChIKey of oxo(dipentoxy)phosphanium?
The InChIKey is XIJARCRSLONVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3P/c1-3-5-7-9-12-14(11)13-10-8-6-4-2/h3-10H2,1-2H3/q+1.
What are the key properties of oxo(dipentoxy)phosphanium?
oxo(dipentoxy)phosphanium has a molecular weight of 221.26 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(dipentoxy)phosphanium is sourced from PubChem (CID 12844417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).