methane;1-tritiohexane

C7H18 — CID 158955574

IUPACmethane;1-tritiohexane
SMILESC.[3H]CCCCCC
InChIInChI=1S/C6H14.CH4/c1-3-5-6-4-2;/h3-6H2,1-2H3;1H4/i1T;
InChIKeyJLYQVFASMVHLNJ-PXDSPCEXSA-N
MW104.23 g/mol
LogP3.22
Rot. Bonds4

About methane;1-tritiohexane

methane;1-tritiohexane (PubChem CID 158955574) has the molecular formula C7H18 and a molecular weight of 104.23 g/mol. Its IUPAC name is methane;1-tritiohexane.

Molecular Properties

Compound Namemethane;1-tritiohexane
PubChem CID158955574
Molecular FormulaC7H18
Molecular Weight104.23 g/mol
Exact Mass104.15
IUPAC Namemethane;1-tritiohexane
SMILESC.[3H]CCCCCC
InChIInChI=1S/C6H14.CH4/c1-3-5-6-4-2;/h3-6H2,1-2H3;1H4/i1T;
InChIKeyJLYQVFASMVHLNJ-PXDSPCEXSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.23
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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Related Compounds

1-tritioheptane
CID 59965144
dodecane;methane
CID 22277750
bis(hexane);methane;propane
CID 158581590
bis(hexadecane);methane
CID 161318895
bis(hexacosane);methane
CID 157430725
butane;pentakis(heptane);methane
CID 160660769
methane;octane;dihydrochloride
CID 174397937
azane;methane;undecane
CID 159407970
ethane;heptane;methane
CID 142916060
butane;hexane;methane;pentane
CID 162085022
azane;docosane;methane
CID 175254385
ethane;methane;octane
CID 158155293

Frequently Asked Questions

What is the IUPAC name of methane;1-tritiohexane?
The IUPAC name of methane;1-tritiohexane (CID 158955574) is methane;1-tritiohexane.
What is the SMILES notation for methane;1-tritiohexane?
The canonical SMILES for methane;1-tritiohexane is C.[3H]CCCCCC.
What is the InChIKey of methane;1-tritiohexane?
The InChIKey is JLYQVFASMVHLNJ-PXDSPCEXSA-N. The full InChI is InChI=1S/C6H14.CH4/c1-3-5-6-4-2;/h3-6H2,1-2H3;1H4/i1T;.
What are the key properties of methane;1-tritiohexane?
methane;1-tritiohexane has a molecular weight of 104.23 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-tritiohexane is sourced from PubChem (CID 158955574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).