hex-3-yne;tetradecakis(yttrium)

C6H8Y14-2 — CID 58654985

IUPAChex-3-yne;tetradecakis(yttrium)
SMILESC[CH-]C#C[CH-]C.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H8.14Y/c1-3-5-6-4-2;;;;;;;;;;;;;;/h3-4H,1-2H3;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;
InChIKeyDGKXVVKFZHGHJC-UHFFFAOYSA-N
MW1324.81 g/mol
LogP1.40
Rot. Bonds

About hex-3-yne;tetradecakis(yttrium)

hex-3-yne;tetradecakis(yttrium) (PubChem CID 58654985) has the molecular formula C6H8Y14-2 and a molecular weight of 1324.81 g/mol. Its IUPAC name is hex-3-yne;tetradecakis(yttrium).

Molecular Properties

Compound Namehex-3-yne;tetradecakis(yttrium)
PubChem CID58654985
Molecular FormulaC6H8Y14-2
Molecular Weight1324.81 g/mol
Exact Mass1324.75
IUPAC Namehex-3-yne;tetradecakis(yttrium)
SMILESC[CH-]C#C[CH-]C.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H8.14Y/c1-3-5-6-4-2;;;;;;;;;;;;;;/h3-4H,1-2H3;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;
InChIKeyDGKXVVKFZHGHJC-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001324.81
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-3-yne;tetradecakis(yttrium)?
The IUPAC name of hex-3-yne;tetradecakis(yttrium) (CID 58654985) is hex-3-yne;tetradecakis(yttrium).
What is the SMILES notation for hex-3-yne;tetradecakis(yttrium)?
The canonical SMILES for hex-3-yne;tetradecakis(yttrium) is C[CH-]C#C[CH-]C.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of hex-3-yne;tetradecakis(yttrium)?
The InChIKey is DGKXVVKFZHGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.14Y/c1-3-5-6-4-2;;;;;;;;;;;;;;/h3-4H,1-2H3;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;.
What are the key properties of hex-3-yne;tetradecakis(yttrium)?
hex-3-yne;tetradecakis(yttrium) has a molecular weight of 1324.81 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-yne;tetradecakis(yttrium) is sourced from PubChem (CID 58654985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).