but-3-en-2-yloxy-hydroxy-oxophosphanium

C4H8O3P+ — CID 22756511

IUPACbut-3-en-2-yloxy-hydroxy-oxophosphanium
SMILESC=CC(C)O[P+](=O)O
InChIInChI=1S/C4H7O3P/c1-3-4(2)7-8(5)6/h3-4H,1H2,2H3/p+1
InChIKeyMCMACWHVMCURIZ-UHFFFAOYSA-O
MW135.08 g/mol
LogP1.23
Rot. Bonds3

About but-3-en-2-yloxy-hydroxy-oxophosphanium

but-3-en-2-yloxy-hydroxy-oxophosphanium (PubChem CID 22756511) has the molecular formula C4H8O3P+ and a molecular weight of 135.08 g/mol. Its IUPAC name is but-3-en-2-yloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebut-3-en-2-yloxy-hydroxy-oxophosphanium
PubChem CID22756511
Molecular FormulaC4H8O3P+
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Namebut-3-en-2-yloxy-hydroxy-oxophosphanium
SMILESC=CC(C)O[P+](=O)O
InChIInChI=1S/C4H7O3P/c1-3-4(2)7-8(5)6/h3-4H,1H2,2H3/p+1
InChIKeyMCMACWHVMCURIZ-UHFFFAOYSA-O
XLogP1.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.08
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-3-en-2-yloxy-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Fluorobut-3-en-2-yl dihydrogen phosphate
CID 175136103
But-3-en-2-yl diethyl phosphate
CID 12552843
[(2R)-but-3-en-2-yl] diethyl phosphate
CID 102513715
[(2S)-but-3-en-2-yl] diethyl phosphate
CID 102513716
Allyl ethylvinylphosphinate
CID 129687005
Isopropyl ethylvinylphosphinate
CID 129687018
4-Methyl-1,3,2-dioxaphosphorinone
CID 129781680
2-[Chloro(prop-2-enoxy)phosphoryl]oxypropane
CID 134885587
2-[Methyl(prop-2-enoxy)phosphoryl]oxypropane
CID 170850966
But-3-enyl methyl hydrogen phosphate
CID 17886759
Ethyl prop-2-enyl hydrogen phosphate
CID 19046892
But-3-en-2-yl dihydrogen phosphate
CID 20078797

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yloxy-hydroxy-oxophosphanium?
The IUPAC name of but-3-en-2-yloxy-hydroxy-oxophosphanium (CID 22756511) is but-3-en-2-yloxy-hydroxy-oxophosphanium.
What is the SMILES notation for but-3-en-2-yloxy-hydroxy-oxophosphanium?
The canonical SMILES for but-3-en-2-yloxy-hydroxy-oxophosphanium is C=CC(C)O[P+](=O)O.
What is the InChIKey of but-3-en-2-yloxy-hydroxy-oxophosphanium?
The InChIKey is MCMACWHVMCURIZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7O3P/c1-3-4(2)7-8(5)6/h3-4H,1H2,2H3/p+1.
What are the key properties of but-3-en-2-yloxy-hydroxy-oxophosphanium?
but-3-en-2-yloxy-hydroxy-oxophosphanium has a molecular weight of 135.08 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 22756511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).