deuterium monohydride;methane;toluene

C8H14 — CID 158938920

IUPACdeuterium monohydride;methane;toluene
SMILESC.Cc1ccccc1.[H][2H]
InChIInChI=1S/C7H8.CH4.H2/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;1H4;1H/i;;1+1
InChIKeyJJZUSTJTWVZRND-FCHARDOESA-N
MW111.21 g/mol
LogP2.88
Rot. Bonds

About deuterium monohydride;methane;toluene

deuterium monohydride;methane;toluene (PubChem CID 158938920) has the molecular formula C8H14 and a molecular weight of 111.21 g/mol. Its IUPAC name is deuterium monohydride;methane;toluene.

Molecular Properties

Compound Namedeuterium monohydride;methane;toluene
PubChem CID158938920
Molecular FormulaC8H14
Molecular Weight111.21 g/mol
Exact Mass111.12
IUPAC Namedeuterium monohydride;methane;toluene
SMILESC.Cc1ccccc1.[H][2H]
InChIInChI=1S/C7H8.CH4.H2/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;1H4;1H/i;;1+1
InChIKeyJJZUSTJTWVZRND-FCHARDOESA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;methane;toluene?
The IUPAC name of deuterium monohydride;methane;toluene (CID 158938920) is deuterium monohydride;methane;toluene.
What is the SMILES notation for deuterium monohydride;methane;toluene?
The canonical SMILES for deuterium monohydride;methane;toluene is C.Cc1ccccc1.[H][2H].
What is the InChIKey of deuterium monohydride;methane;toluene?
The InChIKey is JJZUSTJTWVZRND-FCHARDOESA-N. The full InChI is InChI=1S/C7H8.CH4.H2/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;1H4;1H/i;;1+1.
What are the key properties of deuterium monohydride;methane;toluene?
deuterium monohydride;methane;toluene has a molecular weight of 111.21 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;methane;toluene is sourced from PubChem (CID 158938920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).