but-2-en-2-ylphosphane

C4H9P — CID 54552540

IUPACbut-2-en-2-ylphosphane
SMILESCC=C(C)P
InChIInChI=1S/C4H9P/c1-3-4(2)5/h3H,5H2,1-2H3
InChIKeyZKXJKAYLLVSJAN-UHFFFAOYSA-N
MW88.09 g/mol
LogP1.79
Rot. Bonds

About but-2-en-2-ylphosphane

but-2-en-2-ylphosphane (PubChem CID 54552540) has the molecular formula C4H9P and a molecular weight of 88.09 g/mol. Its IUPAC name is but-2-en-2-ylphosphane.

Molecular Properties

Compound Namebut-2-en-2-ylphosphane
PubChem CID54552540
Molecular FormulaC4H9P
Molecular Weight88.09 g/mol
Exact Mass88.04
IUPAC Namebut-2-en-2-ylphosphane
SMILESCC=C(C)P
InChIInChI=1S/C4H9P/c1-3-4(2)5/h3H,5H2,1-2H3
InChIKeyZKXJKAYLLVSJAN-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.09
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-2-en-2-ylphosphane?
The IUPAC name of but-2-en-2-ylphosphane (CID 54552540) is but-2-en-2-ylphosphane.
What is the SMILES notation for but-2-en-2-ylphosphane?
The canonical SMILES for but-2-en-2-ylphosphane is CC=C(C)P.
What is the InChIKey of but-2-en-2-ylphosphane?
The InChIKey is ZKXJKAYLLVSJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9P/c1-3-4(2)5/h3H,5H2,1-2H3.
What are the key properties of but-2-en-2-ylphosphane?
but-2-en-2-ylphosphane has a molecular weight of 88.09 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-ylphosphane is sourced from PubChem (CID 54552540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).