1-tritiopent-1-yne

C5H8 — CID 59073152

IUPAC1-tritiopent-1-yne
SMILES[3H]C#CCCC
InChIInChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3/i1T
InChIKeyIBXNCJKFFQIKKY-CNRUNOGKSA-N
MW70.13 g/mol
LogP1.42
Rot. Bonds1

About 1-tritiopent-1-yne

1-tritiopent-1-yne (PubChem CID 59073152) has the molecular formula C5H8 and a molecular weight of 70.13 g/mol. Its IUPAC name is 1-tritiopent-1-yne.

Molecular Properties

Compound Name1-tritiopent-1-yne
PubChem CID59073152
Molecular FormulaC5H8
Molecular Weight70.13 g/mol
Exact Mass70.07
IUPAC Name1-tritiopent-1-yne
SMILES[3H]C#CCCC
InChIInChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3/i1T
InChIKeyIBXNCJKFFQIKKY-CNRUNOGKSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.13
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tritiopent-1-yne?
The IUPAC name of 1-tritiopent-1-yne (CID 59073152) is 1-tritiopent-1-yne.
What is the SMILES notation for 1-tritiopent-1-yne?
The canonical SMILES for 1-tritiopent-1-yne is [3H]C#CCCC.
What is the InChIKey of 1-tritiopent-1-yne?
The InChIKey is IBXNCJKFFQIKKY-CNRUNOGKSA-N. The full InChI is InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3/i1T.
What are the key properties of 1-tritiopent-1-yne?
1-tritiopent-1-yne has a molecular weight of 70.13 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritiopent-1-yne is sourced from PubChem (CID 59073152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).