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

C8H10O2 — CID 90475750

IUPAC1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene
SMILES[2H]c1c([2H])c(OC([2H])([2H])[2H])c([2H])c([2H])c1OC([2H])([2H])[2H]
InChIInChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D
InChIKeyOHBQPCCCRFSCAX-ZGYYUIRESA-N
MW148.23 g/mol
LogP1.70
Rot. Bonds4

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

1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene (PubChem CID 90475750) has the molecular formula C8H10O2 and a molecular weight of 148.23 g/mol. Its IUPAC name is 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene.

Molecular Properties

Compound Name1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene
PubChem CID90475750
Molecular FormulaC8H10O2
Molecular Weight148.23 g/mol
Exact Mass148.13
IUPAC Name1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene
SMILES[2H]c1c([2H])c(OC([2H])([2H])[2H])c([2H])c([2H])c1OC([2H])([2H])[2H]
InChIInChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D
InChIKeyOHBQPCCCRFSCAX-ZGYYUIRESA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene?
The IUPAC name of 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene (CID 90475750) is 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene.
What is the SMILES notation for 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene?
The canonical SMILES for 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene is [2H]c1c([2H])c(OC([2H])([2H])[2H])c([2H])c([2H])c1OC([2H])([2H])[2H].
What is the InChIKey of 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene?
The InChIKey is OHBQPCCCRFSCAX-ZGYYUIRESA-N. The full InChI is InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D.
What are the key properties of 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene?
1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene has a molecular weight of 148.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene is sourced from PubChem (CID 90475750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).