[(1E)-2-methylbuta-1,3-dienyl]phosphane

C5H9P — CID 118945946

IUPAC[(1E)-2-methylbuta-1,3-dienyl]phosphane
SMILESC=C/C(C)=C/P
InChIInChI=1S/C5H9P/c1-3-5(2)4-6/h3-4H,1,6H2,2H3/b5-4+
InChIKeyVMSOLAZCXHOALO-SNAWJCMRSA-N
MW100.10 g/mol
LogP1.95
Rot. Bonds1

About [(1E)-2-methylbuta-1,3-dienyl]phosphane

[(1E)-2-methylbuta-1,3-dienyl]phosphane (PubChem CID 118945946) has the molecular formula C5H9P and a molecular weight of 100.10 g/mol. Its IUPAC name is [(1E)-2-methylbuta-1,3-dienyl]phosphane.

Molecular Properties

Compound Name[(1E)-2-methylbuta-1,3-dienyl]phosphane
PubChem CID118945946
Molecular FormulaC5H9P
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name[(1E)-2-methylbuta-1,3-dienyl]phosphane
SMILESC=C/C(C)=C/P
InChIInChI=1S/C5H9P/c1-3-5(2)4-6/h3-4H,1,6H2,2H3/b5-4+
InChIKeyVMSOLAZCXHOALO-SNAWJCMRSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E)-2-methylbuta-1,3-dienyl]phosphane?
The IUPAC name of [(1E)-2-methylbuta-1,3-dienyl]phosphane (CID 118945946) is [(1E)-2-methylbuta-1,3-dienyl]phosphane.
What is the SMILES notation for [(1E)-2-methylbuta-1,3-dienyl]phosphane?
The canonical SMILES for [(1E)-2-methylbuta-1,3-dienyl]phosphane is C=C/C(C)=C/P.
What is the InChIKey of [(1E)-2-methylbuta-1,3-dienyl]phosphane?
The InChIKey is VMSOLAZCXHOALO-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9P/c1-3-5(2)4-6/h3-4H,1,6H2,2H3/b5-4+.
What are the key properties of [(1E)-2-methylbuta-1,3-dienyl]phosphane?
[(1E)-2-methylbuta-1,3-dienyl]phosphane has a molecular weight of 100.10 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2-methylbuta-1,3-dienyl]phosphane is sourced from PubChem (CID 118945946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).