1,1,1,2,2-pentadeuterioethane

C2H6 — CID 12053198

IUPAC1,1,1,2,2-pentadeuterioethane
SMILES[2H]C([2H])C([2H])([2H])[2H]
InChIInChI=1S/C2H6/c1-2/h1-2H3/i1D2,2D3
InChIKeyOTMSDBZUPAUEDD-KPAILUHGSA-N
MW35.10 g/mol
LogP1.03
Rot. Bonds1

About 1,1,1,2,2-pentadeuterioethane

1,1,1,2,2-pentadeuterioethane (PubChem CID 12053198) has the molecular formula C2H6 and a molecular weight of 35.10 g/mol. Its IUPAC name is 1,1,1,2,2-pentadeuterioethane.

Molecular Properties

Compound Name1,1,1,2,2-pentadeuterioethane
PubChem CID12053198
Molecular FormulaC2H6
Molecular Weight35.10 g/mol
Exact Mass35.08
IUPAC Name1,1,1,2,2-pentadeuterioethane
SMILES[2H]C([2H])C([2H])([2H])[2H]
InChIInChI=1S/C2H6/c1-2/h1-2H3/i1D2,2D3
InChIKeyOTMSDBZUPAUEDD-KPAILUHGSA-N
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50035.10
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentadeuterioethane?
The IUPAC name of 1,1,1,2,2-pentadeuterioethane (CID 12053198) is 1,1,1,2,2-pentadeuterioethane.
What is the SMILES notation for 1,1,1,2,2-pentadeuterioethane?
The canonical SMILES for 1,1,1,2,2-pentadeuterioethane is [2H]C([2H])C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,2,2-pentadeuterioethane?
The InChIKey is OTMSDBZUPAUEDD-KPAILUHGSA-N. The full InChI is InChI=1S/C2H6/c1-2/h1-2H3/i1D2,2D3.
What are the key properties of 1,1,1,2,2-pentadeuterioethane?
1,1,1,2,2-pentadeuterioethane has a molecular weight of 35.10 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentadeuterioethane is sourced from PubChem (CID 12053198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).