2,2-dimethyl-1-tritiopropan-1-one

C5H10O — CID 90985048

IUPAC2,2-dimethyl-1-tritiopropan-1-one
SMILES[3H]C(=O)C(C)(C)C
InChIInChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3/i4T
InChIKeyFJJYHTVHBVXEEQ-IBTRZKOZSA-N
MW88.14 g/mol
LogP1.23
Rot. Bonds

About 2,2-dimethyl-1-tritiopropan-1-one

2,2-dimethyl-1-tritiopropan-1-one (PubChem CID 90985048) has the molecular formula C5H10O and a molecular weight of 88.14 g/mol. Its IUPAC name is 2,2-dimethyl-1-tritiopropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-tritiopropan-1-one
PubChem CID90985048
Molecular FormulaC5H10O
Molecular Weight88.14 g/mol
Exact Mass88.08
IUPAC Name2,2-dimethyl-1-tritiopropan-1-one
SMILES[3H]C(=O)C(C)(C)C
InChIInChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3/i4T
InChIKeyFJJYHTVHBVXEEQ-IBTRZKOZSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.14
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-tritiopropan-1-one?
The IUPAC name of 2,2-dimethyl-1-tritiopropan-1-one (CID 90985048) is 2,2-dimethyl-1-tritiopropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-tritiopropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-tritiopropan-1-one is [3H]C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-tritiopropan-1-one?
The InChIKey is FJJYHTVHBVXEEQ-IBTRZKOZSA-N. The full InChI is InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3/i4T.
What are the key properties of 2,2-dimethyl-1-tritiopropan-1-one?
2,2-dimethyl-1-tritiopropan-1-one has a molecular weight of 88.14 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-tritiopropan-1-one is sourced from PubChem (CID 90985048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).