1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene

C10H14 — CID 59080146

IUPAC1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene
SMILES[2H]c1c([2H])c(C([2H])([2H])C)c([2H])c([2H])c1C([2H])([2H])C
InChIInChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3/i3D2,4D2,5D,6D,7D,8D
InChIKeyDSNHSQKRULAAEI-BSGRUDAASA-N
MW142.27 g/mol
LogP2.81
Rot. Bonds2

About 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene

1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene (PubChem CID 59080146) has the molecular formula C10H14 and a molecular weight of 142.27 g/mol. Its IUPAC name is 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene
PubChem CID59080146
Molecular FormulaC10H14
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Name1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene
SMILES[2H]c1c([2H])c(C([2H])([2H])C)c([2H])c([2H])c1C([2H])([2H])C
InChIInChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3/i3D2,4D2,5D,6D,7D,8D
InChIKeyDSNHSQKRULAAEI-BSGRUDAASA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene?
The IUPAC name of 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene (CID 59080146) is 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene?
The canonical SMILES for 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene is [2H]c1c([2H])c(C([2H])([2H])C)c([2H])c([2H])c1C([2H])([2H])C.
What is the InChIKey of 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene?
The InChIKey is DSNHSQKRULAAEI-BSGRUDAASA-N. The full InChI is InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3/i3D2,4D2,5D,6D,7D,8D.
What are the key properties of 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene?
1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene has a molecular weight of 142.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetradeuterio-3,6-bis(1,1-dideuterioethyl)benzene is sourced from PubChem (CID 59080146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).