pent-3-en-2-ylphosphane

C5H11P — CID 91170639

IUPACpent-3-en-2-ylphosphane
SMILESCC=CC(C)P
InChIInChI=1S/C5H11P/c1-3-4-5(2)6/h3-5H,6H2,1-2H3
InChIKeyZBJJWARZUHVTHD-UHFFFAOYSA-N
MW102.12 g/mol
LogP1.83
Rot. Bonds1

About pent-3-en-2-ylphosphane

pent-3-en-2-ylphosphane (PubChem CID 91170639) has the molecular formula C5H11P and a molecular weight of 102.12 g/mol. Its IUPAC name is pent-3-en-2-ylphosphane.

Molecular Properties

Compound Namepent-3-en-2-ylphosphane
PubChem CID91170639
Molecular FormulaC5H11P
Molecular Weight102.12 g/mol
Exact Mass102.06
IUPAC Namepent-3-en-2-ylphosphane
SMILESCC=CC(C)P
InChIInChI=1S/C5H11P/c1-3-4-5(2)6/h3-5H,6H2,1-2H3
InChIKeyZBJJWARZUHVTHD-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.12
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 pent-3-en-2-ylphosphane?
The IUPAC name of pent-3-en-2-ylphosphane (CID 91170639) is pent-3-en-2-ylphosphane.
What is the SMILES notation for pent-3-en-2-ylphosphane?
The canonical SMILES for pent-3-en-2-ylphosphane is CC=CC(C)P.
What is the InChIKey of pent-3-en-2-ylphosphane?
The InChIKey is ZBJJWARZUHVTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11P/c1-3-4-5(2)6/h3-5H,6H2,1-2H3.
What are the key properties of pent-3-en-2-ylphosphane?
pent-3-en-2-ylphosphane has a molecular weight of 102.12 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-en-2-ylphosphane is sourced from PubChem (CID 91170639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).