1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane

C4H10O — CID 2723765

IUPAC1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane
SMILES[2H]C([2H])([2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChIKeyRTZKZFJDLAIYFH-MWUKXHIBSA-N
MW84.18 g/mol
LogP1.04
Rot. Bonds4

About 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane

1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane (PubChem CID 2723765) has the molecular formula C4H10O and a molecular weight of 84.18 g/mol. Its IUPAC name is 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane
PubChem CID2723765
Molecular FormulaC4H10O
Molecular Weight84.18 g/mol
Exact Mass84.14
IUPAC Name1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane
SMILES[2H]C([2H])([2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])[2H]
InChIInChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChIKeyRTZKZFJDLAIYFH-MWUKXHIBSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane?
The IUPAC name of 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane (CID 2723765) is 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane.
What is the SMILES notation for 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane?
The canonical SMILES for 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane is [2H]C([2H])([2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane?
The InChIKey is RTZKZFJDLAIYFH-MWUKXHIBSA-N. The full InChI is InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2.
What are the key properties of 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane?
1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane has a molecular weight of 84.18 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane is sourced from PubChem (CID 2723765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).