but-3-enoxy-hydroxy-oxophosphanium

C4H8O3P+ — CID 87068325

IUPACbut-3-enoxy-hydroxy-oxophosphanium
SMILESC=CCCO[P+](=O)O
InChIInChI=1S/C4H7O3P/c1-2-3-4-7-8(5)6/h2H,1,3-4H2/p+1
InChIKeyYTTCAEYJUWWTTC-UHFFFAOYSA-O
MW135.08 g/mol
LogP1.23
Rot. Bonds4

About but-3-enoxy-hydroxy-oxophosphanium

but-3-enoxy-hydroxy-oxophosphanium (PubChem CID 87068325) has the molecular formula C4H8O3P+ and a molecular weight of 135.08 g/mol. Its IUPAC name is but-3-enoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebut-3-enoxy-hydroxy-oxophosphanium
PubChem CID87068325
Molecular FormulaC4H8O3P+
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Namebut-3-enoxy-hydroxy-oxophosphanium
SMILESC=CCCO[P+](=O)O
InChIInChI=1S/C4H7O3P/c1-2-3-4-7-8(5)6/h2H,1,3-4H2/p+1
InChIKeyYTTCAEYJUWWTTC-UHFFFAOYSA-O
XLogP1.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-enoxy-hydroxy-oxophosphanium?
The IUPAC name of but-3-enoxy-hydroxy-oxophosphanium (CID 87068325) is but-3-enoxy-hydroxy-oxophosphanium.
What is the SMILES notation for but-3-enoxy-hydroxy-oxophosphanium?
The canonical SMILES for but-3-enoxy-hydroxy-oxophosphanium is C=CCCO[P+](=O)O.
What is the InChIKey of but-3-enoxy-hydroxy-oxophosphanium?
The InChIKey is YTTCAEYJUWWTTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7O3P/c1-2-3-4-7-8(5)6/h2H,1,3-4H2/p+1.
What are the key properties of but-3-enoxy-hydroxy-oxophosphanium?
but-3-enoxy-hydroxy-oxophosphanium has a molecular weight of 135.08 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 87068325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).