acetylene;ethenoxy-hydroxy-oxophosphanium

C6H8O3P+ — CID 175157956

IUPACacetylene;ethenoxy-hydroxy-oxophosphanium
SMILESC#C.C#C.C=CO[P+](=O)O
InChIInChI=1S/C2H3O3P.2C2H2/c1-2-5-6(3)4;2*1-2/h2H,1H2;2*1-2H/p+1
InChIKeyWPCLTMMQAFMYCP-UHFFFAOYSA-O
MW159.10 g/mol
LogP1.29
Rot. Bonds2

About acetylene;ethenoxy-hydroxy-oxophosphanium

acetylene;ethenoxy-hydroxy-oxophosphanium (PubChem CID 175157956) has the molecular formula C6H8O3P+ and a molecular weight of 159.10 g/mol. Its IUPAC name is acetylene;ethenoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Nameacetylene;ethenoxy-hydroxy-oxophosphanium
PubChem CID175157956
Molecular FormulaC6H8O3P+
Molecular Weight159.10 g/mol
Exact Mass159.02
IUPAC Nameacetylene;ethenoxy-hydroxy-oxophosphanium
SMILESC#C.C#C.C=CO[P+](=O)O
InChIInChI=1S/C2H3O3P.2C2H2/c1-2-5-6(3)4;2*1-2/h2H,1H2;2*1-2H/p+1
InChIKeyWPCLTMMQAFMYCP-UHFFFAOYSA-O
XLogP1.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethenoxy-hydroxy-oxophosphanium
CID 6328071
butane;ethenoxy-hydroxy-oxophosphanium
CID 87195641
chloro-ethenoxy-oxophosphanium
CID 87697866
tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)
CID 166451765
bis(dihydroxy(oxo)phosphanium);ethenol
CID 87088723
ethenoxy-methoxycarbonyl-oxophosphanium
CID 130463703
dihydroxy(oxo)phosphanium;bis(prop-1-ene)
CID 87707073
hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium
CID 87157731
acetylene;ethenoxyethene
CID 175367616
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174395966
N,N-bis(ethenyl)ethenamine;dihydroxy(oxo)phosphanium
CID 87568858
bis(dihydroxy(oxo)phosphanium);ethene
CID 157056745

Frequently Asked Questions

What is the IUPAC name of acetylene;ethenoxy-hydroxy-oxophosphanium?
The IUPAC name of acetylene;ethenoxy-hydroxy-oxophosphanium (CID 175157956) is acetylene;ethenoxy-hydroxy-oxophosphanium.
What is the SMILES notation for acetylene;ethenoxy-hydroxy-oxophosphanium?
The canonical SMILES for acetylene;ethenoxy-hydroxy-oxophosphanium is C#C.C#C.C=CO[P+](=O)O.
What is the InChIKey of acetylene;ethenoxy-hydroxy-oxophosphanium?
The InChIKey is WPCLTMMQAFMYCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3O3P.2C2H2/c1-2-5-6(3)4;2*1-2/h2H,1H2;2*1-2H/p+1.
What are the key properties of acetylene;ethenoxy-hydroxy-oxophosphanium?
acetylene;ethenoxy-hydroxy-oxophosphanium has a molecular weight of 159.10 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethenoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 175157956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).