hex-1-en-5-yne

C6H8 — CID 518966

IUPAChex-1-en-5-yne
SMILESC#CCCC=C
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h1,4H,2,5-6H2
InChIKeyGHGNRQPVGKFJIR-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.59
Rot. Bonds2

About hex-1-en-5-yne

hex-1-en-5-yne (PubChem CID 518966) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is hex-1-en-5-yne.

Molecular Properties

Compound Namehex-1-en-5-yne
PubChem CID518966
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Namehex-1-en-5-yne
SMILESC#CCCC=C
InChIInChI=1S/C6H8/c1-3-5-6-4-2/h1,4H,2,5-6H2
InChIKeyGHGNRQPVGKFJIR-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hex-1-en-5-yne?
The IUPAC name of hex-1-en-5-yne (CID 518966) is hex-1-en-5-yne.
What is the SMILES notation for hex-1-en-5-yne?
The canonical SMILES for hex-1-en-5-yne is C#CCCC=C.
What is the InChIKey of hex-1-en-5-yne?
The InChIKey is GHGNRQPVGKFJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8/c1-3-5-6-4-2/h1,4H,2,5-6H2.
What are the key properties of hex-1-en-5-yne?
hex-1-en-5-yne has a molecular weight of 80.13 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-5-yne is sourced from PubChem (CID 518966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).