2-deuteriooxypropane

C3H8O — CID 520960

IUPAC2-deuteriooxypropane
SMILES[2H]OC(C)C
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4D
InChIKeyKFZMGEQAYNKOFK-QYKNYGDISA-N
MW61.10 g/mol
LogP0.39
Rot. Bonds1

About 2-deuteriooxypropane

2-deuteriooxypropane (PubChem CID 520960) has the molecular formula C3H8O and a molecular weight of 61.10 g/mol. Its IUPAC name is 2-deuteriooxypropane.

Molecular Properties

Compound Name2-deuteriooxypropane
PubChem CID520960
Molecular FormulaC3H8O
Molecular Weight61.10 g/mol
Exact Mass61.06
IUPAC Name2-deuteriooxypropane
SMILES[2H]OC(C)C
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4D
InChIKeyKFZMGEQAYNKOFK-QYKNYGDISA-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 ≤ 50061.10
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuteriooxypropane?
The IUPAC name of 2-deuteriooxypropane (CID 520960) is 2-deuteriooxypropane.
What is the SMILES notation for 2-deuteriooxypropane?
The canonical SMILES for 2-deuteriooxypropane is [2H]OC(C)C.
What is the InChIKey of 2-deuteriooxypropane?
The InChIKey is KFZMGEQAYNKOFK-QYKNYGDISA-N. The full InChI is InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4D.
What are the key properties of 2-deuteriooxypropane?
2-deuteriooxypropane has a molecular weight of 61.10 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 2-deuteriooxypropane is sourced from PubChem (CID 520960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).