bis(but-1-en-2-yloxy)-oxophosphanium

C8H14O3P+ — CID 87234999

IUPACbis(but-1-en-2-yloxy)-oxophosphanium
SMILESC=C(CC)O[P+](=O)OC(=C)CC
InChIInChI=1S/C8H14O3P/c1-5-7(3)10-12(9)11-8(4)6-2/h3-6H2,1-2H3/q+1
InChIKeyWJMLPYFSTCYANO-UHFFFAOYSA-N
MW189.17 g/mol
LogP3.52
Rot. Bonds6

About bis(but-1-en-2-yloxy)-oxophosphanium

bis(but-1-en-2-yloxy)-oxophosphanium (PubChem CID 87234999) has the molecular formula C8H14O3P+ and a molecular weight of 189.17 g/mol. Its IUPAC name is bis(but-1-en-2-yloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(but-1-en-2-yloxy)-oxophosphanium
PubChem CID87234999
Molecular FormulaC8H14O3P+
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Namebis(but-1-en-2-yloxy)-oxophosphanium
SMILESC=C(CC)O[P+](=O)OC(=C)CC
InChIInChI=1S/C8H14O3P/c1-5-7(3)10-12(9)11-8(4)6-2/h3-6H2,1-2H3/q+1
InChIKeyWJMLPYFSTCYANO-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-1-en-2-yloxy-hydroxy-oxophosphanium
CID 170345188
lithium;2-but-1-en-2-yloxybut-1-ene;hydride
CID 172995000
bis(2-methylprop-2-enoyloxy)-oxophosphanium
CID 87559559
bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium
CID 22140109
2-propoxybut-1-ene
CID 22498061
2-but-1-en-2-yloxyacetamide
CID 89101591
2-(methoxymethoxy)but-1-ene
CID 13107534
2-(trifluoromethoxy)but-1-ene
CID 90210903
2-dimethylphosphorylbut-1-ene
CID 59649344
but-1-en-2-yloxy(methyl)diazene
CID 163681207
2-ethoxybut-1-ene;2-methoxybut-1-ene
CID 139345076
2-(deuteriooxymethoxy)but-1-ene
CID 88855358

Frequently Asked Questions

What is the IUPAC name of bis(but-1-en-2-yloxy)-oxophosphanium?
The IUPAC name of bis(but-1-en-2-yloxy)-oxophosphanium (CID 87234999) is bis(but-1-en-2-yloxy)-oxophosphanium.
What is the SMILES notation for bis(but-1-en-2-yloxy)-oxophosphanium?
The canonical SMILES for bis(but-1-en-2-yloxy)-oxophosphanium is C=C(CC)O[P+](=O)OC(=C)CC.
What is the InChIKey of bis(but-1-en-2-yloxy)-oxophosphanium?
The InChIKey is WJMLPYFSTCYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3P/c1-5-7(3)10-12(9)11-8(4)6-2/h3-6H2,1-2H3/q+1.
What are the key properties of bis(but-1-en-2-yloxy)-oxophosphanium?
bis(but-1-en-2-yloxy)-oxophosphanium has a molecular weight of 189.17 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-1-en-2-yloxy)-oxophosphanium is sourced from PubChem (CID 87234999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).