2,2-dimethyl-1,6-ditritiohexane

C8H18 — CID 59049149

IUPAC2,2-dimethyl-1,6-ditritiohexane
SMILES[3H]CCCCC(C)(C)C[3H]
InChIInChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3/i1T,2T
InChIKeyFLTJDUOFAQWHDF-RVQWGROCSA-N
MW118.25 g/mol
LogP3.22
Rot. Bonds3

About 2,2-dimethyl-1,6-ditritiohexane

2,2-dimethyl-1,6-ditritiohexane (PubChem CID 59049149) has the molecular formula C8H18 and a molecular weight of 118.25 g/mol. Its IUPAC name is 2,2-dimethyl-1,6-ditritiohexane.

Molecular Properties

Compound Name2,2-dimethyl-1,6-ditritiohexane
PubChem CID59049149
Molecular FormulaC8H18
Molecular Weight118.25 g/mol
Exact Mass118.16
IUPAC Name2,2-dimethyl-1,6-ditritiohexane
SMILES[3H]CCCCC(C)(C)C[3H]
InChIInChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3/i1T,2T
InChIKeyFLTJDUOFAQWHDF-RVQWGROCSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,6-ditritiohexane?
The IUPAC name of 2,2-dimethyl-1,6-ditritiohexane (CID 59049149) is 2,2-dimethyl-1,6-ditritiohexane.
What is the SMILES notation for 2,2-dimethyl-1,6-ditritiohexane?
The canonical SMILES for 2,2-dimethyl-1,6-ditritiohexane is [3H]CCCCC(C)(C)C[3H].
What is the InChIKey of 2,2-dimethyl-1,6-ditritiohexane?
The InChIKey is FLTJDUOFAQWHDF-RVQWGROCSA-N. The full InChI is InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3/i1T,2T.
What are the key properties of 2,2-dimethyl-1,6-ditritiohexane?
2,2-dimethyl-1,6-ditritiohexane has a molecular weight of 118.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,6-ditritiohexane is sourced from PubChem (CID 59049149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).