1-tritiobut-1-ene

C4H8 — CID 90763212

IUPAC1-tritiobut-1-ene
SMILES[3H]/C=C/CC
InChIInChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3/i1T/b3-1+
InChIKeyVXNZUUAINFGPBY-WTVNFYTDSA-N
MW58.12 g/mol
LogP1.58
Rot. Bonds1

About 1-tritiobut-1-ene

1-tritiobut-1-ene (PubChem CID 90763212) has the molecular formula C4H8 and a molecular weight of 58.12 g/mol. Its IUPAC name is 1-tritiobut-1-ene.

Molecular Properties

Compound Name1-tritiobut-1-ene
PubChem CID90763212
Molecular FormulaC4H8
Molecular Weight58.12 g/mol
Exact Mass58.07
IUPAC Name1-tritiobut-1-ene
SMILES[3H]/C=C/CC
InChIInChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3/i1T/b3-1+
InChIKeyVXNZUUAINFGPBY-WTVNFYTDSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.12
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
but-1-ene;methanethiol
CID 174505705
butane;bis(but-1-ene)
CID 160596310
but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;formonitrile
CID 175774246
but-1-ene;silyloxysilane
CID 174887933
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519
buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
but-1-ene;2-methylbutane
CID 142013560
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758

Frequently Asked Questions

What is the IUPAC name of 1-tritiobut-1-ene?
The IUPAC name of 1-tritiobut-1-ene (CID 90763212) is 1-tritiobut-1-ene.
What is the SMILES notation for 1-tritiobut-1-ene?
The canonical SMILES for 1-tritiobut-1-ene is [3H]/C=C/CC.
What is the InChIKey of 1-tritiobut-1-ene?
The InChIKey is VXNZUUAINFGPBY-WTVNFYTDSA-N. The full InChI is InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3/i1T/b3-1+.
What are the key properties of 1-tritiobut-1-ene?
1-tritiobut-1-ene has a molecular weight of 58.12 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritiobut-1-ene is sourced from PubChem (CID 90763212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).