3-ethyl-3-methyl-4-tritiodioxetane;yttrium

C5H9O2Y- — CID 59776199

IUPAC3-ethyl-3-methyl-4-tritiodioxetane;yttrium
SMILES[3H]C1OOC1(C)[CH-]C.[Y]
InChIInChI=1S/C5H9O2.Y/c1-3-5(2)4-6-7-5;/h3H,4H2,1-2H3;/q-1;/i4T;
InChIKeyNCLBVPOGPLQAHV-BRGIFKCHSA-N
MW192.04 g/mol
LogP0.93
Rot. Bonds1

About 3-ethyl-3-methyl-4-tritiodioxetane;yttrium

3-ethyl-3-methyl-4-tritiodioxetane;yttrium (PubChem CID 59776199) has the molecular formula C5H9O2Y- and a molecular weight of 192.04 g/mol. Its IUPAC name is 3-ethyl-3-methyl-4-tritiodioxetane;yttrium.

Molecular Properties

Compound Name3-ethyl-3-methyl-4-tritiodioxetane;yttrium
PubChem CID59776199
Molecular FormulaC5H9O2Y-
Molecular Weight192.04 g/mol
Exact Mass191.97
IUPAC Name3-ethyl-3-methyl-4-tritiodioxetane;yttrium
SMILES[3H]C1OOC1(C)[CH-]C.[Y]
InChIInChI=1S/C5H9O2.Y/c1-3-5(2)4-6-7-5;/h3H,4H2,1-2H3;/q-1;/i4T;
InChIKeyNCLBVPOGPLQAHV-BRGIFKCHSA-N
XLogP0.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,4-Trimethyl-1,2-dioxetane
CID 98929
1,2-Dioxetane, 3,3-dimethyl-
CID 11083824
3-Ethyl-3-methyl-1,2-dioxetane
CID 12951313
3-Ethyl-3-(fluoromethyl)dioxetane
CID 174637535
3-Methyl-3-propyl-1,2-dioxetane
CID 18913364
3-Ethyl-3-methoxyoxetane
CID 22277879
4-Ethyl-3,3-dimethyl-1,2-dioxetane
CID 71418700
3,3-Diethyl-1,2-dioxetane
CID 71418701
3-Ethyl-3-(iodomethyl)dioxetane
CID 174624378
3-Methyl-3-(propan-2-yl)-1,2-dioxetane
CID 12951314
3-tert-Butyl-3-methyl-1,2-dioxetane
CID 12951315
3-Ethyl-3-methyl-4-tritiodioxetane
CID 59776200

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-4-tritiodioxetane;yttrium?
The IUPAC name of 3-ethyl-3-methyl-4-tritiodioxetane;yttrium (CID 59776199) is 3-ethyl-3-methyl-4-tritiodioxetane;yttrium.
What is the SMILES notation for 3-ethyl-3-methyl-4-tritiodioxetane;yttrium?
The canonical SMILES for 3-ethyl-3-methyl-4-tritiodioxetane;yttrium is [3H]C1OOC1(C)[CH-]C.[Y].
What is the InChIKey of 3-ethyl-3-methyl-4-tritiodioxetane;yttrium?
The InChIKey is NCLBVPOGPLQAHV-BRGIFKCHSA-N. The full InChI is InChI=1S/C5H9O2.Y/c1-3-5(2)4-6-7-5;/h3H,4H2,1-2H3;/q-1;/i4T;.
What are the key properties of 3-ethyl-3-methyl-4-tritiodioxetane;yttrium?
3-ethyl-3-methyl-4-tritiodioxetane;yttrium has a molecular weight of 192.04 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-4-tritiodioxetane;yttrium is sourced from PubChem (CID 59776199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).