tetrakis(prop-2-enyl)phosphanium acetate

C14H23O2P — CID 87134475

IUPACtetrakis(prop-2-enyl)phosphanium acetate
SMILESC=CC[P+](CC=C)(CC=C)CC=C.CC(=O)[O-]
InChIInChI=1S/C12H20P.C2H4O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2(3)4/h5-8H,1-4,9-12H2;1H3,(H,3,4)/q+1;/p-1
InChIKeyHLFKEXIKLUHFIA-UHFFFAOYSA-M
MW254.31 g/mol
LogP2.50
Rot. Bonds8

About tetrakis(prop-2-enyl)phosphanium acetate

tetrakis(prop-2-enyl)phosphanium acetate (PubChem CID 87134475) has the molecular formula C14H23O2P and a molecular weight of 254.31 g/mol. Its IUPAC name is tetrakis(prop-2-enyl)phosphanium acetate.

Molecular Properties

Compound Nametetrakis(prop-2-enyl)phosphanium acetate
PubChem CID87134475
Molecular FormulaC14H23O2P
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Nametetrakis(prop-2-enyl)phosphanium acetate
SMILESC=CC[P+](CC=C)(CC=C)CC=C.CC(=O)[O-]
InChIInChI=1S/C12H20P.C2H4O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2(3)4/h5-8H,1-4,9-12H2;1H3,(H,3,4)/q+1;/p-1
InChIKeyHLFKEXIKLUHFIA-UHFFFAOYSA-M
XLogP2.50
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(prop-2-enyl)phosphanium iodide
CID 87197192
tris(prop-2-enyl)azanium acetate
CID 87689086
2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium
CID 122174185
diazanium;prop-1-ene;diacetate
CID 159968490
tetrakis(2-acetylpent-4-enoate);titanium(4+)
CID 173063293
2-acetylpent-4-enoate;methanolate;titanium(4+)
CID 173160592
2-prop-2-enylbutanedioate
CID 18008387
3-ethenylhex-5-en-2-one
CID 529432
2-hydroxypent-4-enoate
CID 23063769
azanium but-3-enoate
CID 87111540
4-acetyl-4-prop-2-enylheptanedioate
CID 7312411
phosphanylphosphanium acetate
CID 162334335

Frequently Asked Questions

What is the IUPAC name of tetrakis(prop-2-enyl)phosphanium acetate?
The IUPAC name of tetrakis(prop-2-enyl)phosphanium acetate (CID 87134475) is tetrakis(prop-2-enyl)phosphanium acetate.
What is the SMILES notation for tetrakis(prop-2-enyl)phosphanium acetate?
The canonical SMILES for tetrakis(prop-2-enyl)phosphanium acetate is C=CC[P+](CC=C)(CC=C)CC=C.CC(=O)[O-].
What is the InChIKey of tetrakis(prop-2-enyl)phosphanium acetate?
The InChIKey is HLFKEXIKLUHFIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20P.C2H4O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2(3)4/h5-8H,1-4,9-12H2;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of tetrakis(prop-2-enyl)phosphanium acetate?
tetrakis(prop-2-enyl)phosphanium acetate has a molecular weight of 254.31 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(prop-2-enyl)phosphanium acetate is sourced from PubChem (CID 87134475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).