tris(nonane);tritium monohydride

C27H62 — CID 159928953

IUPACtris(nonane);tritium monohydride
SMILESCCCCCCCCC.CCCCCCCCC.CCCCCCCCC.[H][3H]
InChIInChI=1S/3C9H20.H2/c3*1-3-5-7-9-8-6-4-2;/h3*3-9H2,1-2H3;1H/i;;;1+2
InChIKeyNZJRCNYOGKUZER-SUNKFXMWSA-N
MW388.80 g/mol
LogP11.52
Rot. Bonds18

About tris(nonane);tritium monohydride

tris(nonane);tritium monohydride (PubChem CID 159928953) has the molecular formula C27H62 and a molecular weight of 388.80 g/mol. Its IUPAC name is tris(nonane);tritium monohydride.

Molecular Properties

Compound Nametris(nonane);tritium monohydride
PubChem CID159928953
Molecular FormulaC27H62
Molecular Weight388.80 g/mol
Exact Mass388.49
IUPAC Nametris(nonane);tritium monohydride
SMILESCCCCCCCCC.CCCCCCCCC.CCCCCCCCC.[H][3H]
InChIInChI=1S/3C9H20.H2/c3*1-3-5-7-9-8-6-4-2;/h3*3-9H2,1-2H3;1H/i;;;1+2
InChIKeyNZJRCNYOGKUZER-SUNKFXMWSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.80
LogP ≤ 511.52
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

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of tris(nonane);tritium monohydride?
The IUPAC name of tris(nonane);tritium monohydride (CID 159928953) is tris(nonane);tritium monohydride.
What is the SMILES notation for tris(nonane);tritium monohydride?
The canonical SMILES for tris(nonane);tritium monohydride is CCCCCCCCC.CCCCCCCCC.CCCCCCCCC.[H][3H].
What is the InChIKey of tris(nonane);tritium monohydride?
The InChIKey is NZJRCNYOGKUZER-SUNKFXMWSA-N. The full InChI is InChI=1S/3C9H20.H2/c3*1-3-5-7-9-8-6-4-2;/h3*3-9H2,1-2H3;1H/i;;;1+2.
What are the key properties of tris(nonane);tritium monohydride?
tris(nonane);tritium monohydride has a molecular weight of 388.80 g/mol, XLogP of 11.52, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(nonane);tritium monohydride is sourced from PubChem (CID 159928953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).