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

C10H14 — CID 161147977

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

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

1,2-dideuterio-3,4,5,6-tetramethylbenzene (PubChem CID 161147977) has the molecular formula C10H14 and a molecular weight of 136.23 g/mol. Its IUPAC name is 1,2-dideuterio-3,4,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,2-dideuterio-3,4,5,6-tetramethylbenzene
PubChem CID161147977
Molecular FormulaC10H14
Molecular Weight136.23 g/mol
Exact Mass136.12
IUPAC Name1,2-dideuterio-3,4,5,6-tetramethylbenzene
SMILES[2H]c1c([2H])c(C)c(C)c(C)c1C
InChIInChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3/i5D,6D
InChIKeyUOHMMEJUHBCKEE-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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Related Compounds

1,4-dideuterio-2,3,5,6-tetramethylbenzene
CID 102602329
1,2,3,4,5-pentadeuterio-6-(2,3,4-trideuterio-5,6-dimethylphenyl)benzene
CID 167703253
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
formaldehyde;1,2,3,4,5-pentamethylbenzene
CID 162197138
1,2,3,4,5,6-hexadeuterio-7,8-bis(trideuteriomethyl)naphthalene
CID 54237311
2-chloro-4-deuterio-3-methylthiophene
CID 176654233
2-bromo-1,3,5-trideuterio-4-methylbenzene
CID 131701141
1,2,3,4-tetradeuterio-5-deuteriooxy-6-methylbenzene
CID 90472356
1,2,4-trideuterio-3,5,6-tris(trideuteriomethyl)benzene
CID 102601121
2,3-dimethylaniline;2,3,4-trideuterio-5-methyl-6-(trideuteriomethyl)aniline
CID 159444672
1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene
CID 90475750
CID 174455312
CID 174455312

Frequently Asked Questions

What is the IUPAC name of 1,2-dideuterio-3,4,5,6-tetramethylbenzene?
The IUPAC name of 1,2-dideuterio-3,4,5,6-tetramethylbenzene (CID 161147977) is 1,2-dideuterio-3,4,5,6-tetramethylbenzene.
What is the SMILES notation for 1,2-dideuterio-3,4,5,6-tetramethylbenzene?
The canonical SMILES for 1,2-dideuterio-3,4,5,6-tetramethylbenzene is [2H]c1c([2H])c(C)c(C)c(C)c1C.
What is the InChIKey of 1,2-dideuterio-3,4,5,6-tetramethylbenzene?
The InChIKey is UOHMMEJUHBCKEE-KCZCTXNHSA-N. The full InChI is InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3/i5D,6D.
What are the key properties of 1,2-dideuterio-3,4,5,6-tetramethylbenzene?
1,2-dideuterio-3,4,5,6-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 1,2-dideuterio-3,4,5,6-tetramethylbenzene is sourced from PubChem (CID 161147977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).