2,2-dideuteriopropane

C3H8 — CID 6914130

IUPAC2,2-dideuteriopropane
SMILES[2H]C([2H])(C)C
InChIInChI=1S/C3H8/c1-3-2/h3H2,1-2H3/i3D2
InChIKeyATUOYWHBWRKTHZ-SMZGMGDZSA-N
MW46.11 g/mol
LogP1.42
Rot. Bonds

About 2,2-dideuteriopropane

2,2-dideuteriopropane (PubChem CID 6914130) has the molecular formula C3H8 and a molecular weight of 46.11 g/mol. Its IUPAC name is 2,2-dideuteriopropane.

Molecular Properties

Compound Name2,2-dideuteriopropane
PubChem CID6914130
Molecular FormulaC3H8
Molecular Weight46.11 g/mol
Exact Mass46.08
IUPAC Name2,2-dideuteriopropane
SMILES[2H]C([2H])(C)C
InChIInChI=1S/C3H8/c1-3-2/h3H2,1-2H3/i3D2
InChIKeyATUOYWHBWRKTHZ-SMZGMGDZSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50046.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dideuteriopropane?
The IUPAC name of 2,2-dideuteriopropane (CID 6914130) is 2,2-dideuteriopropane.
What is the SMILES notation for 2,2-dideuteriopropane?
The canonical SMILES for 2,2-dideuteriopropane is [2H]C([2H])(C)C.
What is the InChIKey of 2,2-dideuteriopropane?
The InChIKey is ATUOYWHBWRKTHZ-SMZGMGDZSA-N. The full InChI is InChI=1S/C3H8/c1-3-2/h3H2,1-2H3/i3D2.
What are the key properties of 2,2-dideuteriopropane?
2,2-dideuteriopropane has a molecular weight of 46.11 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuteriopropane is sourced from PubChem (CID 6914130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).