(E)-hex-4-en-1-yne

C6H8 — CID 5463113

IUPAC(E)-hex-4-en-1-yne
SMILESC#CC/C=C/C
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h1,4,6H,5H2,2H3/b6-4+
InChIKeyJLXNEPDKUYQIPV-GQCTYLIASA-N
MW80.13 g/mol
LogP1.59
Rot. Bonds1

About (E)-hex-4-en-1-yne

(E)-hex-4-en-1-yne (PubChem CID 5463113) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is (E)-hex-4-en-1-yne.

Molecular Properties

Compound Name(E)-hex-4-en-1-yne
PubChem CID5463113
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name(E)-hex-4-en-1-yne
SMILESC#CC/C=C/C
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h1,4,6H,5H2,2H3/b6-4+
InChIKeyJLXNEPDKUYQIPV-GQCTYLIASA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-hex-4-en-1-yne?
The IUPAC name of (E)-hex-4-en-1-yne (CID 5463113) is (E)-hex-4-en-1-yne.
What is the SMILES notation for (E)-hex-4-en-1-yne?
The canonical SMILES for (E)-hex-4-en-1-yne is C#CC/C=C/C.
What is the InChIKey of (E)-hex-4-en-1-yne?
The InChIKey is JLXNEPDKUYQIPV-GQCTYLIASA-N. The full InChI is InChI=1S/C6H8/c1-3-5-6-4-2/h1,4,6H,5H2,2H3/b6-4+.
What are the key properties of (E)-hex-4-en-1-yne?
(E)-hex-4-en-1-yne has a molecular weight of 80.13 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-4-en-1-yne is sourced from PubChem (CID 5463113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).