[(E)-hex-4-enyl]phosphane

C6H13P — CID 164665361

IUPAC[(E)-hex-4-enyl]phosphane
SMILESC/C=C/CCCP
InChIInChI=1S/C6H13P/c1-2-3-4-5-6-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyPWJRVOSDZSVZCW-NSCUHMNNSA-N
MW116.14 g/mol
LogP2.22
Rot. Bonds3

About [(E)-hex-4-enyl]phosphane

[(E)-hex-4-enyl]phosphane (PubChem CID 164665361) has the molecular formula C6H13P and a molecular weight of 116.14 g/mol. Its IUPAC name is [(E)-hex-4-enyl]phosphane.

Molecular Properties

Compound Name[(E)-hex-4-enyl]phosphane
PubChem CID164665361
Molecular FormulaC6H13P
Molecular Weight116.14 g/mol
Exact Mass116.08
IUPAC Name[(E)-hex-4-enyl]phosphane
SMILESC/C=C/CCCP
InChIInChI=1S/C6H13P/c1-2-3-4-5-6-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyPWJRVOSDZSVZCW-NSCUHMNNSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(E)-hex-4-enyl]phosphane?
The IUPAC name of [(E)-hex-4-enyl]phosphane (CID 164665361) is [(E)-hex-4-enyl]phosphane.
What is the SMILES notation for [(E)-hex-4-enyl]phosphane?
The canonical SMILES for [(E)-hex-4-enyl]phosphane is C/C=C/CCCP.
What is the InChIKey of [(E)-hex-4-enyl]phosphane?
The InChIKey is PWJRVOSDZSVZCW-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H13P/c1-2-3-4-5-6-7/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of [(E)-hex-4-enyl]phosphane?
[(E)-hex-4-enyl]phosphane has a molecular weight of 116.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-4-enyl]phosphane is sourced from PubChem (CID 164665361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).