1,4-dideuterio-2,3,5,6-tetramethylbenzene

C10H14 — CID 102602329

IUPAC1,4-dideuterio-2,3,5,6-tetramethylbenzene
SMILES[2H]c1c(C)c(C)c([2H])c(C)c1C
InChIInChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3/i5D,6D
InChIKeySQNZJJAZBFDUTD-KCZCTXNHSA-N
MW136.23 g/mol
LogP2.92
Rot. Bonds

About 1,4-dideuterio-2,3,5,6-tetramethylbenzene

1,4-dideuterio-2,3,5,6-tetramethylbenzene (PubChem CID 102602329) has the molecular formula C10H14 and a molecular weight of 136.23 g/mol. Its IUPAC name is 1,4-dideuterio-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,4-dideuterio-2,3,5,6-tetramethylbenzene
PubChem CID102602329
Molecular FormulaC10H14
Molecular Weight136.23 g/mol
Exact Mass136.12
IUPAC Name1,4-dideuterio-2,3,5,6-tetramethylbenzene
SMILES[2H]c1c(C)c(C)c([2H])c(C)c1C
InChIInChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3/i5D,6D
InChIKeySQNZJJAZBFDUTD-KCZCTXNHSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dideuterio-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1,4-dideuterio-2,3,5,6-tetramethylbenzene (CID 102602329) is 1,4-dideuterio-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1,4-dideuterio-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1,4-dideuterio-2,3,5,6-tetramethylbenzene is [2H]c1c(C)c(C)c([2H])c(C)c1C.
What is the InChIKey of 1,4-dideuterio-2,3,5,6-tetramethylbenzene?
The InChIKey is SQNZJJAZBFDUTD-KCZCTXNHSA-N. The full InChI is InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3/i5D,6D.
What are the key properties of 1,4-dideuterio-2,3,5,6-tetramethylbenzene?
1,4-dideuterio-2,3,5,6-tetramethylbenzene has a molecular weight of 136.23 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dideuterio-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 102602329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).