dichloromethane;methane;phosphoric acid

C4H20Cl2O8P2 — CID 174721529

IUPACdichloromethane;methane;phosphoric acid
SMILESC.C.C.ClCCl.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/CH2Cl2.3CH4.2H3O4P/c2-1-3;;;;2*1-5(2,3)4/h1H2;3*1H4;2*(H3,1,2,3,4)
InChIKeyPQCIHNMCURHKHV-UHFFFAOYSA-N
MW329.05 g/mol
LogP1.47
Rot. Bonds

About dichloromethane;methane;phosphoric acid

dichloromethane;methane;phosphoric acid (PubChem CID 174721529) has the molecular formula C4H20Cl2O8P2 and a molecular weight of 329.05 g/mol. Its IUPAC name is dichloromethane;methane;phosphoric acid.

Molecular Properties

Compound Namedichloromethane;methane;phosphoric acid
PubChem CID174721529
Molecular FormulaC4H20Cl2O8P2
Molecular Weight329.05 g/mol
Exact Mass328.00
IUPAC Namedichloromethane;methane;phosphoric acid
SMILESC.C.C.ClCCl.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/CH2Cl2.3CH4.2H3O4P/c2-1-3;;;;2*1-5(2,3)4/h1H2;3*1H4;2*(H3,1,2,3,4)
InChIKeyPQCIHNMCURHKHV-UHFFFAOYSA-N
XLogP1.47
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.05
LogP ≤ 51.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;phosphoric acid
CID 18515646
methane;phosphoric acid
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CID 173272827
cobalt;methane;nickel;phosphoric acid
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beryllium;hydride;niobium;phosphoric acid
CID 175325214
beryllium;hydride;phosphoric acid;hydrofluoride
CID 173435189
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CID 87060109
iron;phosphoric acid
CID 174838016
CID 173050648
CID 173050648
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CID 90659592

Frequently Asked Questions

What is the IUPAC name of dichloromethane;methane;phosphoric acid?
The IUPAC name of dichloromethane;methane;phosphoric acid (CID 174721529) is dichloromethane;methane;phosphoric acid.
What is the SMILES notation for dichloromethane;methane;phosphoric acid?
The canonical SMILES for dichloromethane;methane;phosphoric acid is C.C.C.ClCCl.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of dichloromethane;methane;phosphoric acid?
The InChIKey is PQCIHNMCURHKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2.3CH4.2H3O4P/c2-1-3;;;;2*1-5(2,3)4/h1H2;3*1H4;2*(H3,1,2,3,4).
What are the key properties of dichloromethane;methane;phosphoric acid?
dichloromethane;methane;phosphoric acid has a molecular weight of 329.05 g/mol, XLogP of 1.47, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methane;phosphoric acid is sourced from PubChem (CID 174721529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).