1,2-ditritiopropan-2-ol

C3H8O — CID 173309028

IUPAC1,2-ditritiopropan-2-ol
SMILES[3H]CC([3H])(C)O
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1T,3T
InChIKeyKFZMGEQAYNKOFK-UURISEFRSA-N
MW64.11 g/mol
LogP0.39
Rot. Bonds1

About 1,2-ditritiopropan-2-ol

1,2-ditritiopropan-2-ol (PubChem CID 173309028) has the molecular formula C3H8O and a molecular weight of 64.11 g/mol. Its IUPAC name is 1,2-ditritiopropan-2-ol.

Molecular Properties

Compound Name1,2-ditritiopropan-2-ol
PubChem CID173309028
Molecular FormulaC3H8O
Molecular Weight64.11 g/mol
Exact Mass64.07
IUPAC Name1,2-ditritiopropan-2-ol
SMILES[3H]CC([3H])(C)O
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1T,3T
InChIKeyKFZMGEQAYNKOFK-UURISEFRSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.11
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditritiopropan-2-ol?
The IUPAC name of 1,2-ditritiopropan-2-ol (CID 173309028) is 1,2-ditritiopropan-2-ol.
What is the SMILES notation for 1,2-ditritiopropan-2-ol?
The canonical SMILES for 1,2-ditritiopropan-2-ol is [3H]CC([3H])(C)O.
What is the InChIKey of 1,2-ditritiopropan-2-ol?
The InChIKey is KFZMGEQAYNKOFK-UURISEFRSA-N. The full InChI is InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1T,3T.
What are the key properties of 1,2-ditritiopropan-2-ol?
1,2-ditritiopropan-2-ol has a molecular weight of 64.11 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditritiopropan-2-ol is sourced from PubChem (CID 173309028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).