bis(but-3-enoxy)-oxophosphanium

C8H14O3P+ — CID 19894487

IUPACbis(but-3-enoxy)-oxophosphanium
SMILESC=CCCO[P+](=O)OCCC=C
InChIInChI=1S/C8H14O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-4H,1-2,5-8H2/q+1
InChIKeyPLVYAXUSPCVROA-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.83
Rot. Bonds8

About bis(but-3-enoxy)-oxophosphanium

bis(but-3-enoxy)-oxophosphanium (PubChem CID 19894487) has the molecular formula C8H14O3P+ and a molecular weight of 189.17 g/mol. Its IUPAC name is bis(but-3-enoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(but-3-enoxy)-oxophosphanium
PubChem CID19894487
Molecular FormulaC8H14O3P+
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Namebis(but-3-enoxy)-oxophosphanium
SMILESC=CCCO[P+](=O)OCCC=C
InChIInChI=1S/C8H14O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-4H,1-2,5-8H2/q+1
InChIKeyPLVYAXUSPCVROA-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
But-3-enyl diethyl phosphite
CID 15668370
(E)-1-diethoxyphosphorylbut-1-ene
CID 12530541
But-3-enyl phosphono hydrogen phosphate
CID 15818140
But-3-en-1-yl dihydrogen phosphate
CID 21344887
1-Diethoxyphosphorylbut-1-ene
CID 23280731
2-(But-3-en-1-yloxy)-2-oxo1,3,2-dioxaphospholane
CID 85585631
Bis(but-3-enyl) fluoro phosphate
CID 130422814
4-[But-3-enoxy(fluoro)phosphoryl]oxybut-1-ene
CID 130422815
But-3-enoxy(fluoro)phosphinic acid
CID 149890513
4-[Fluoro(methoxy)phosphoryl]oxybut-1-ene
CID 151144759
4-Fluorobut-3-enyl dihydrogen phosphate
CID 175136102

Frequently Asked Questions

What is the IUPAC name of bis(but-3-enoxy)-oxophosphanium?
The IUPAC name of bis(but-3-enoxy)-oxophosphanium (CID 19894487) is bis(but-3-enoxy)-oxophosphanium.
What is the SMILES notation for bis(but-3-enoxy)-oxophosphanium?
The canonical SMILES for bis(but-3-enoxy)-oxophosphanium is C=CCCO[P+](=O)OCCC=C.
What is the InChIKey of bis(but-3-enoxy)-oxophosphanium?
The InChIKey is PLVYAXUSPCVROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-4H,1-2,5-8H2/q+1.
What are the key properties of bis(but-3-enoxy)-oxophosphanium?
bis(but-3-enoxy)-oxophosphanium has a molecular weight of 189.17 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-3-enoxy)-oxophosphanium is sourced from PubChem (CID 19894487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).