[(E)-but-2-en-2-yl]phosphane

C4H9P — CID 19024939

IUPAC[(E)-but-2-en-2-yl]phosphane
SMILESC/C=C(\C)P
InChIInChI=1S/C4H9P/c1-3-4(2)5/h3H,5H2,1-2H3/b4-3+
InChIKeyZKXJKAYLLVSJAN-ONEGZZNKSA-N
MW88.09 g/mol
LogP1.79
Rot. Bonds

About [(E)-but-2-en-2-yl]phosphane

[(E)-but-2-en-2-yl]phosphane (PubChem CID 19024939) has the molecular formula C4H9P and a molecular weight of 88.09 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl]phosphane.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl]phosphane
PubChem CID19024939
Molecular FormulaC4H9P
Molecular Weight88.09 g/mol
Exact Mass88.04
IUPAC Name[(E)-but-2-en-2-yl]phosphane
SMILESC/C=C(\C)P
InChIInChI=1S/C4H9P/c1-3-4(2)5/h3H,5H2,1-2H3/b4-3+
InChIKeyZKXJKAYLLVSJAN-ONEGZZNKSA-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 [(E)-but-2-en-2-yl]phosphane?
The IUPAC name of [(E)-but-2-en-2-yl]phosphane (CID 19024939) is [(E)-but-2-en-2-yl]phosphane.
What is the SMILES notation for [(E)-but-2-en-2-yl]phosphane?
The canonical SMILES for [(E)-but-2-en-2-yl]phosphane is C/C=C(\C)P.
What is the InChIKey of [(E)-but-2-en-2-yl]phosphane?
The InChIKey is ZKXJKAYLLVSJAN-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H9P/c1-3-4(2)5/h3H,5H2,1-2H3/b4-3+.
What are the key properties of [(E)-but-2-en-2-yl]phosphane?
[(E)-but-2-en-2-yl]phosphane 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 [(E)-but-2-en-2-yl]phosphane is sourced from PubChem (CID 19024939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).