oxo-bis(2,4,4-trimethylpentoxy)phosphanium

C16H34O3P+ — CID 6327683

IUPACoxo-bis(2,4,4-trimethylpentoxy)phosphanium
SMILESCC(CO[P+](=O)OCC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H34O3P/c1-13(9-15(3,4)5)11-18-20(17)19-12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3/q+1
InChIKeyNXPXJESSNLRKFY-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.82
Rot. Bonds8

About oxo-bis(2,4,4-trimethylpentoxy)phosphanium

oxo-bis(2,4,4-trimethylpentoxy)phosphanium (PubChem CID 6327683) has the molecular formula C16H34O3P+ and a molecular weight of 305.42 g/mol. Its IUPAC name is oxo-bis(2,4,4-trimethylpentoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(2,4,4-trimethylpentoxy)phosphanium
PubChem CID6327683
Molecular FormulaC16H34O3P+
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Nameoxo-bis(2,4,4-trimethylpentoxy)phosphanium
SMILESCC(CO[P+](=O)OCC(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H34O3P/c1-13(9-15(3,4)5)11-18-20(17)19-12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3/q+1
InChIKeyNXPXJESSNLRKFY-UHFFFAOYSA-N
XLogP5.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bis(2,4,4-trimethylpentoxy)phosphanium?
The IUPAC name of oxo-bis(2,4,4-trimethylpentoxy)phosphanium (CID 6327683) is oxo-bis(2,4,4-trimethylpentoxy)phosphanium.
What is the SMILES notation for oxo-bis(2,4,4-trimethylpentoxy)phosphanium?
The canonical SMILES for oxo-bis(2,4,4-trimethylpentoxy)phosphanium is CC(CO[P+](=O)OCC(C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of oxo-bis(2,4,4-trimethylpentoxy)phosphanium?
The InChIKey is NXPXJESSNLRKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3P/c1-13(9-15(3,4)5)11-18-20(17)19-12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3/q+1.
What are the key properties of oxo-bis(2,4,4-trimethylpentoxy)phosphanium?
oxo-bis(2,4,4-trimethylpentoxy)phosphanium has a molecular weight of 305.42 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(2,4,4-trimethylpentoxy)phosphanium is sourced from PubChem (CID 6327683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).