but-1-enyl-hydroxy-oxophosphanium

C4H8O2P+ — CID 86657299

IUPACbut-1-enyl-hydroxy-oxophosphanium
SMILESCCC=C[P+](=O)O
InChIInChI=1S/C4H7O2P/c1-2-3-4-7(5)6/h3-4H,2H2,1H3/p+1
InChIKeyHHUSRARMJZFDJD-UHFFFAOYSA-O
MW119.08 g/mol
LogP1.64
Rot. Bonds2

About but-1-enyl-hydroxy-oxophosphanium

but-1-enyl-hydroxy-oxophosphanium (PubChem CID 86657299) has the molecular formula C4H8O2P+ and a molecular weight of 119.08 g/mol. Its IUPAC name is but-1-enyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebut-1-enyl-hydroxy-oxophosphanium
PubChem CID86657299
Molecular FormulaC4H8O2P+
Molecular Weight119.08 g/mol
Exact Mass119.03
IUPAC Namebut-1-enyl-hydroxy-oxophosphanium
SMILESCCC=C[P+](=O)O
InChIInChI=1S/C4H7O2P/c1-2-3-4-7(5)6/h3-4H,2H2,1H3/p+1
InChIKeyHHUSRARMJZFDJD-UHFFFAOYSA-O
XLogP1.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-enyl-hydroxy-oxophosphanium?
The IUPAC name of but-1-enyl-hydroxy-oxophosphanium (CID 86657299) is but-1-enyl-hydroxy-oxophosphanium.
What is the SMILES notation for but-1-enyl-hydroxy-oxophosphanium?
The canonical SMILES for but-1-enyl-hydroxy-oxophosphanium is CCC=C[P+](=O)O.
What is the InChIKey of but-1-enyl-hydroxy-oxophosphanium?
The InChIKey is HHUSRARMJZFDJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7O2P/c1-2-3-4-7(5)6/h3-4H,2H2,1H3/p+1.
What are the key properties of but-1-enyl-hydroxy-oxophosphanium?
but-1-enyl-hydroxy-oxophosphanium has a molecular weight of 119.08 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl-hydroxy-oxophosphanium is sourced from PubChem (CID 86657299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).