2-[(2S)-1-tritiooxypropan-2-yl]oxirane

C5H10O2 — CID 58581977

IUPAC2-[(2S)-1-tritiooxypropan-2-yl]oxirane
SMILES[3H]OC[C@H](C)C1CO1
InChIInChI=1S/C5H10O2/c1-4(2-6)5-3-7-5/h4-6H,2-3H2,1H3/t4-,5?/m0/s1/i6T
InChIKeyRKNPMARCQMCRHH-NMQDOTTQSA-N
MW104.14 g/mol
LogP0.01
Rot. Bonds3

About 2-[(2S)-1-tritiooxypropan-2-yl]oxirane

2-[(2S)-1-tritiooxypropan-2-yl]oxirane (PubChem CID 58581977) has the molecular formula C5H10O2 and a molecular weight of 104.14 g/mol. Its IUPAC name is 2-[(2S)-1-tritiooxypropan-2-yl]oxirane.

Molecular Properties

Compound Name2-[(2S)-1-tritiooxypropan-2-yl]oxirane
PubChem CID58581977
Molecular FormulaC5H10O2
Molecular Weight104.14 g/mol
Exact Mass104.08
IUPAC Name2-[(2S)-1-tritiooxypropan-2-yl]oxirane
SMILES[3H]OC[C@H](C)C1CO1
InChIInChI=1S/C5H10O2/c1-4(2-6)5-3-7-5/h4-6H,2-3H2,1H3/t4-,5?/m0/s1/i6T
InChIKeyRKNPMARCQMCRHH-NMQDOTTQSA-N
XLogP0.01
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.14
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-tritiooxypropan-2-yl]oxirane?
The IUPAC name of 2-[(2S)-1-tritiooxypropan-2-yl]oxirane (CID 58581977) is 2-[(2S)-1-tritiooxypropan-2-yl]oxirane.
What is the SMILES notation for 2-[(2S)-1-tritiooxypropan-2-yl]oxirane?
The canonical SMILES for 2-[(2S)-1-tritiooxypropan-2-yl]oxirane is [3H]OC[C@H](C)C1CO1.
What is the InChIKey of 2-[(2S)-1-tritiooxypropan-2-yl]oxirane?
The InChIKey is RKNPMARCQMCRHH-NMQDOTTQSA-N. The full InChI is InChI=1S/C5H10O2/c1-4(2-6)5-3-7-5/h4-6H,2-3H2,1H3/t4-,5?/m0/s1/i6T.
What are the key properties of 2-[(2S)-1-tritiooxypropan-2-yl]oxirane?
2-[(2S)-1-tritiooxypropan-2-yl]oxirane has a molecular weight of 104.14 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-tritiooxypropan-2-yl]oxirane is sourced from PubChem (CID 58581977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).