dideuteriophosphane;methane;methanol;toluene

C72H131O15P — CID 159176749

IUPACdideuteriophosphane;methane;methanol;toluene
SMILESC.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.[2H]P[2H]
InChIInChI=1S/8C7H8.15CH4O.CH4.H3P/c8*1-7-5-3-2-4-6-7;15*1-2;;/h8*2-6H,1H3;15*2H,1H3;1H4;1H3/i;;;;;;;;;;;;;;;;;;;;;;;;1D2
InChIKeyKMJLHVHPWFXTKB-GMXIBNMLSA-N
MW1269.81 g/mol
LogP10.78
Rot. Bonds

About dideuteriophosphane;methane;methanol;toluene

dideuteriophosphane;methane;methanol;toluene (PubChem CID 159176749) has the molecular formula C72H131O15P and a molecular weight of 1269.81 g/mol. Its IUPAC name is dideuteriophosphane;methane;methanol;toluene.

Molecular Properties

Compound Namedideuteriophosphane;methane;methanol;toluene
PubChem CID159176749
Molecular FormulaC72H131O15P
Molecular Weight1269.81 g/mol
Exact Mass1268.94
IUPAC Namedideuteriophosphane;methane;methanol;toluene
SMILESC.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.[2H]P[2H]
InChIInChI=1S/8C7H8.15CH4O.CH4.H3P/c8*1-7-5-3-2-4-6-7;15*1-2;;/h8*2-6H,1H3;15*2H,1H3;1H4;1H3/i;;;;;;;;;;;;;;;;;;;;;;;;1D2
InChIKeyKMJLHVHPWFXTKB-GMXIBNMLSA-N
XLogP10.78
TPSA303.45 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001269.81
LogP ≤ 510.78
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dideuteriophosphane;methane;methanol;toluene?
The IUPAC name of dideuteriophosphane;methane;methanol;toluene (CID 159176749) is dideuteriophosphane;methane;methanol;toluene.
What is the SMILES notation for dideuteriophosphane;methane;methanol;toluene?
The canonical SMILES for dideuteriophosphane;methane;methanol;toluene is C.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.[2H]P[2H].
What is the InChIKey of dideuteriophosphane;methane;methanol;toluene?
The InChIKey is KMJLHVHPWFXTKB-GMXIBNMLSA-N. The full InChI is InChI=1S/8C7H8.15CH4O.CH4.H3P/c8*1-7-5-3-2-4-6-7;15*1-2;;/h8*2-6H,1H3;15*2H,1H3;1H4;1H3/i;;;;;;;;;;;;;;;;;;;;;;;;1D2.
What are the key properties of dideuteriophosphane;methane;methanol;toluene?
dideuteriophosphane;methane;methanol;toluene has a molecular weight of 1269.81 g/mol, XLogP of 10.78, 0 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dideuteriophosphane;methane;methanol;toluene is sourced from PubChem (CID 159176749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).