buta-1,3-diene;diethoxy(oxo)phosphanium

C8H16O3P+ — CID 88766369

IUPACbuta-1,3-diene;diethoxy(oxo)phosphanium
SMILESC=CC=C.CCO[P+](=O)OCC
InChIInChI=1S/C4H10O3P.C4H6/c1-3-6-8(5)7-4-2;1-3-4-2/h3-4H2,1-2H3;3-4H,1-2H2/q+1;
InChIKeyLHFLGPLEXYJHKK-UHFFFAOYSA-N
MW191.19 g/mol
LogP3.08
Rot. Bonds5

About buta-1,3-diene;diethoxy(oxo)phosphanium

buta-1,3-diene;diethoxy(oxo)phosphanium (PubChem CID 88766369) has the molecular formula C8H16O3P+ and a molecular weight of 191.19 g/mol. Its IUPAC name is buta-1,3-diene;diethoxy(oxo)phosphanium.

Molecular Properties

Compound Namebuta-1,3-diene;diethoxy(oxo)phosphanium
PubChem CID88766369
Molecular FormulaC8H16O3P+
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Namebuta-1,3-diene;diethoxy(oxo)phosphanium
SMILESC=CC=C.CCO[P+](=O)OCC
InChIInChI=1S/C4H10O3P.C4H6/c1-3-6-8(5)7-4-2;1-3-4-2/h3-4H2,1-2H3;3-4H,1-2H2/q+1;
InChIKeyLHFLGPLEXYJHKK-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 157268042
CID 157268042
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
sodium;diethoxy(oxo)phosphanium;hydride
CID 173097047
ethoxy-hydroperoxy-oxophosphanium
CID 87891677
diethoxy(oxo)phosphanium;1,4-xylene
CID 68978726
ethoxy-oxo-pent-4-enylphosphanium
CID 56996522
ethoxy-oxo-pentoxyphosphanium
CID 86182061
bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium
CID 16684782
magnesium;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
buta-1,3-diene;ethoxyethane
CID 18964357
bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 87949359
ethoxy-hexoxy-oxophosphanium
CID 6329155

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;diethoxy(oxo)phosphanium?
The IUPAC name of buta-1,3-diene;diethoxy(oxo)phosphanium (CID 88766369) is buta-1,3-diene;diethoxy(oxo)phosphanium.
What is the SMILES notation for buta-1,3-diene;diethoxy(oxo)phosphanium?
The canonical SMILES for buta-1,3-diene;diethoxy(oxo)phosphanium is C=CC=C.CCO[P+](=O)OCC.
What is the InChIKey of buta-1,3-diene;diethoxy(oxo)phosphanium?
The InChIKey is LHFLGPLEXYJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3P.C4H6/c1-3-6-8(5)7-4-2;1-3-4-2/h3-4H2,1-2H3;3-4H,1-2H2/q+1;.
What are the key properties of buta-1,3-diene;diethoxy(oxo)phosphanium?
buta-1,3-diene;diethoxy(oxo)phosphanium has a molecular weight of 191.19 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;diethoxy(oxo)phosphanium is sourced from PubChem (CID 88766369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).