methane;tritium monohydride

C81H326 — CID 157296800

IUPACmethane;tritium monohydride
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[H][3H]
InChIInChI=1S/81CH4.H2/h81*1H4;1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+2
InChIKeyBBLBNGINXDAANH-PYRSASLFSA-N
MW1303.51 g/mol
LogP51.77
Rot. Bonds

About methane;tritium monohydride

methane;tritium monohydride (PubChem CID 157296800) has the molecular formula C81H326 and a molecular weight of 1303.51 g/mol. Its IUPAC name is methane;tritium monohydride.

Molecular Properties

Compound Namemethane;tritium monohydride
PubChem CID157296800
Molecular FormulaC81H326
Molecular Weight1303.51 g/mol
Exact Mass1302.56
IUPAC Namemethane;tritium monohydride
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[H][3H]
InChIInChI=1S/81CH4.H2/h81*1H4;1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+2
InChIKeyBBLBNGINXDAANH-PYRSASLFSA-N
XLogP51.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.51
LogP ≤ 551.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;tritium monohydride?
The IUPAC name of methane;tritium monohydride (CID 157296800) is methane;tritium monohydride.
What is the SMILES notation for methane;tritium monohydride?
The canonical SMILES for methane;tritium monohydride is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[H][3H].
What is the InChIKey of methane;tritium monohydride?
The InChIKey is BBLBNGINXDAANH-PYRSASLFSA-N. The full InChI is InChI=1S/81CH4.H2/h81*1H4;1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+2.
What are the key properties of methane;tritium monohydride?
methane;tritium monohydride has a molecular weight of 1303.51 g/mol, XLogP of 51.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tritium monohydride is sourced from PubChem (CID 157296800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).