[(E)-but-1-enyl]-methylphosphane

C5H11P — CID 173168130

IUPAC[(E)-but-1-enyl]-methylphosphane
SMILESCC/C=C/PC
InChIInChI=1S/C5H11P/c1-3-4-5-6-2/h4-6H,3H2,1-2H3/b5-4+
InChIKeyZVJFIMHGGFFRJK-SNAWJCMRSA-N
MW102.12 g/mol
LogP2.22
Rot. Bonds2

About [(E)-but-1-enyl]-methylphosphane

[(E)-but-1-enyl]-methylphosphane (PubChem CID 173168130) has the molecular formula C5H11P and a molecular weight of 102.12 g/mol. Its IUPAC name is [(E)-but-1-enyl]-methylphosphane.

Molecular Properties

Compound Name[(E)-but-1-enyl]-methylphosphane
PubChem CID173168130
Molecular FormulaC5H11P
Molecular Weight102.12 g/mol
Exact Mass102.06
IUPAC Name[(E)-but-1-enyl]-methylphosphane
SMILESCC/C=C/PC
InChIInChI=1S/C5H11P/c1-3-4-5-6-2/h4-6H,3H2,1-2H3/b5-4+
InChIKeyZVJFIMHGGFFRJK-SNAWJCMRSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.12
LogP ≤ 52.22
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-1-enyl]-methylphosphane?
The IUPAC name of [(E)-but-1-enyl]-methylphosphane (CID 173168130) is [(E)-but-1-enyl]-methylphosphane.
What is the SMILES notation for [(E)-but-1-enyl]-methylphosphane?
The canonical SMILES for [(E)-but-1-enyl]-methylphosphane is CC/C=C/PC.
What is the InChIKey of [(E)-but-1-enyl]-methylphosphane?
The InChIKey is ZVJFIMHGGFFRJK-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11P/c1-3-4-5-6-2/h4-6H,3H2,1-2H3/b5-4+.
What are the key properties of [(E)-but-1-enyl]-methylphosphane?
[(E)-but-1-enyl]-methylphosphane has a molecular weight of 102.12 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]-methylphosphane is sourced from PubChem (CID 173168130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).