oxo-propoxy-prop-2-ynoxyphosphanium

C6H10O3P+ — CID 159681339

IUPACoxo-propoxy-prop-2-ynoxyphosphanium
SMILESC#CCO[P+](=O)OCCC
InChIInChI=1S/C6H10O3P/c1-3-5-8-10(7)9-6-4-2/h1H,4-6H2,2H3/q+1
InChIKeyDLWZHEKCDBUVEF-UHFFFAOYSA-N
MW161.12 g/mol
LogP1.72
Rot. Bonds5

About oxo-propoxy-prop-2-ynoxyphosphanium

oxo-propoxy-prop-2-ynoxyphosphanium (PubChem CID 159681339) has the molecular formula C6H10O3P+ and a molecular weight of 161.12 g/mol. Its IUPAC name is oxo-propoxy-prop-2-ynoxyphosphanium.

Molecular Properties

Compound Nameoxo-propoxy-prop-2-ynoxyphosphanium
PubChem CID159681339
Molecular FormulaC6H10O3P+
Molecular Weight161.12 g/mol
Exact Mass161.04
IUPAC Nameoxo-propoxy-prop-2-ynoxyphosphanium
SMILESC#CCO[P+](=O)OCCC
InChIInChI=1S/C6H10O3P/c1-3-5-8-10(7)9-6-4-2/h1H,4-6H2,2H3/q+1
InChIKeyDLWZHEKCDBUVEF-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-propyl 4-O-prop-2-ynyl butanedioate
CID 88550128
4-methylpentoxy-oxo-propoxyphosphanium
CID 170366726
(3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium
CID 56980086
propyl bis(prop-2-ynyl) phosphate
CID 23470663
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo(dipentoxy)phosphanium;zinc
CID 157360735
dioctadecoxy(oxo)phosphanium
CID 6327799
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
ethoxy-(2-methylidenepent-4-ynoxy)-oxophosphanium
CID 146217472
bis(3-methylpentoxy)-oxophosphanium
CID 174765578

Frequently Asked Questions

What is the IUPAC name of oxo-propoxy-prop-2-ynoxyphosphanium?
The IUPAC name of oxo-propoxy-prop-2-ynoxyphosphanium (CID 159681339) is oxo-propoxy-prop-2-ynoxyphosphanium.
What is the SMILES notation for oxo-propoxy-prop-2-ynoxyphosphanium?
The canonical SMILES for oxo-propoxy-prop-2-ynoxyphosphanium is C#CCO[P+](=O)OCCC.
What is the InChIKey of oxo-propoxy-prop-2-ynoxyphosphanium?
The InChIKey is DLWZHEKCDBUVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3P/c1-3-5-8-10(7)9-6-4-2/h1H,4-6H2,2H3/q+1.
What are the key properties of oxo-propoxy-prop-2-ynoxyphosphanium?
oxo-propoxy-prop-2-ynoxyphosphanium has a molecular weight of 161.12 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-propoxy-prop-2-ynoxyphosphanium is sourced from PubChem (CID 159681339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).