1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium

C11H14IU- — CID 59967837

IUPAC1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium
SMILES[CH2-]c1c(C)c(C)c(C)c(C)c1I.[U]
InChIInChI=1S/C11H14I.U/c1-6-7(2)9(4)11(12)10(5)8(6)3;/h4H2,1-3,5H3;/q-1;
InChIKeyCQJDOOGMLHHWLO-UHFFFAOYSA-N
MW511.17 g/mol
LogP3.71
Rot. Bonds

About 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium

1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium (PubChem CID 59967837) has the molecular formula C11H14IU- and a molecular weight of 511.17 g/mol. Its IUPAC name is 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium.

Molecular Properties

Compound Name1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium
PubChem CID59967837
Molecular FormulaC11H14IU-
Molecular Weight511.17 g/mol
Exact Mass511.07
IUPAC Name1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium
SMILES[CH2-]c1c(C)c(C)c(C)c(C)c1I.[U]
InChIInChI=1S/C11H14I.U/c1-6-7(2)9(4)11(12)10(5)8(6)3;/h4H2,1-3,5H3;/q-1;
InChIKeyCQJDOOGMLHHWLO-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.17
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2-dibromo-3,6-diiodo-4,5-dimethylbenzene
CID 643341
1,3,5-triiodo-2,4,6-trimethylbenzene
CID 635613
ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
CID 134902011
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
4-iodo-5,6,7-trimethyl-1,2,3-benzoxadiazole
CID 154927050
CID 91484567
CID 91484567
5-iodo-2,4,6-trimethylpyrimidine
CID 10911871
4-iodo-5,6-dimethylbenzene-1,2,3-tricarbonitrile
CID 155283702
2-chloro-3-iodo-4,5,6-trimethylpyridine
CID 131701568

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium?
The IUPAC name of 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium (CID 59967837) is 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium.
What is the SMILES notation for 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium?
The canonical SMILES for 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium is [CH2-]c1c(C)c(C)c(C)c(C)c1I.[U].
What is the InChIKey of 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium?
The InChIKey is CQJDOOGMLHHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14I.U/c1-6-7(2)9(4)11(12)10(5)8(6)3;/h4H2,1-3,5H3;/q-1;.
What are the key properties of 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium?
1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium has a molecular weight of 511.17 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methanidyl-3,4,5,6-tetramethylbenzene;uranium is sourced from PubChem (CID 59967837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).