buta-1,3-diynyl(hydrido)xenon

C4H2Xe — CID 102356018

IUPACbuta-1,3-diynyl(hydrido)xenon
SMILESC#CC#C[XeH]
InChIInChI=1S/C4H2Xe/c1-2-3-4-5/h1,5H
InChIKeyHFQQXBNUCIOIPB-UHFFFAOYSA-N
MW181.35 g/mol
LogP-0.14
Rot. Bonds

About buta-1,3-diynyl(hydrido)xenon

buta-1,3-diynyl(hydrido)xenon (PubChem CID 102356018) has the molecular formula C4H2Xe and a molecular weight of 181.35 g/mol. Its IUPAC name is buta-1,3-diynyl(hydrido)xenon.

Molecular Properties

Compound Namebuta-1,3-diynyl(hydrido)xenon
PubChem CID102356018
Molecular FormulaC4H2Xe
Molecular Weight181.35 g/mol
Exact Mass181.92
IUPAC Namebuta-1,3-diynyl(hydrido)xenon
SMILESC#CC#C[XeH]
InChIInChI=1S/C4H2Xe/c1-2-3-4-5/h1,5H
InChIKeyHFQQXBNUCIOIPB-UHFFFAOYSA-N
XLogP-0.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.35
LogP ≤ 5-0.14
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 buta-1,3-diynyl(hydrido)xenon?
The IUPAC name of buta-1,3-diynyl(hydrido)xenon (CID 102356018) is buta-1,3-diynyl(hydrido)xenon.
What is the SMILES notation for buta-1,3-diynyl(hydrido)xenon?
The canonical SMILES for buta-1,3-diynyl(hydrido)xenon is C#CC#C[XeH].
What is the InChIKey of buta-1,3-diynyl(hydrido)xenon?
The InChIKey is HFQQXBNUCIOIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Xe/c1-2-3-4-5/h1,5H.
What are the key properties of buta-1,3-diynyl(hydrido)xenon?
buta-1,3-diynyl(hydrido)xenon has a molecular weight of 181.35 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diynyl(hydrido)xenon is sourced from PubChem (CID 102356018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).