chloromethanone;rhodium;bis(trimethyl phosphite)

C7H18ClO7P2Rh- — CID 87465062

IUPACchloromethanone;rhodium;bis(trimethyl phosphite)
SMILESCOP(OC)OC.COP(OC)OC.O=[C-]Cl.[Rh]
InChIInChI=1S/2C3H9O3P.CClO.Rh/c2*1-4-7(5-2)6-3;2-1-3;/h2*1-3H3;;/q;;-1;
InChIKeyRMOIYZJVJLNMNT-UHFFFAOYSA-N
MW414.52 g/mol
LogP2.59
Rot. Bonds6

About chloromethanone;rhodium;bis(trimethyl phosphite)

chloromethanone;rhodium;bis(trimethyl phosphite) (PubChem CID 87465062) has the molecular formula C7H18ClO7P2Rh- and a molecular weight of 414.52 g/mol. Its IUPAC name is chloromethanone;rhodium;bis(trimethyl phosphite).

Molecular Properties

Compound Namechloromethanone;rhodium;bis(trimethyl phosphite)
PubChem CID87465062
Molecular FormulaC7H18ClO7P2Rh-
Molecular Weight414.52 g/mol
Exact Mass413.93
IUPAC Namechloromethanone;rhodium;bis(trimethyl phosphite)
SMILESCOP(OC)OC.COP(OC)OC.O=[C-]Cl.[Rh]
InChIInChI=1S/2C3H9O3P.CClO.Rh/c2*1-4-7(5-2)6-3;2-1-3;/h2*1-3H3;;/q;;-1;
InChIKeyRMOIYZJVJLNMNT-UHFFFAOYSA-N
XLogP2.59
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethanone;rhodium;bis(trimethyl phosphite)?
The IUPAC name of chloromethanone;rhodium;bis(trimethyl phosphite) (CID 87465062) is chloromethanone;rhodium;bis(trimethyl phosphite).
What is the SMILES notation for chloromethanone;rhodium;bis(trimethyl phosphite)?
The canonical SMILES for chloromethanone;rhodium;bis(trimethyl phosphite) is COP(OC)OC.COP(OC)OC.O=[C-]Cl.[Rh].
What is the InChIKey of chloromethanone;rhodium;bis(trimethyl phosphite)?
The InChIKey is RMOIYZJVJLNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9O3P.CClO.Rh/c2*1-4-7(5-2)6-3;2-1-3;/h2*1-3H3;;/q;;-1;.
What are the key properties of chloromethanone;rhodium;bis(trimethyl phosphite)?
chloromethanone;rhodium;bis(trimethyl phosphite) has a molecular weight of 414.52 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethanone;rhodium;bis(trimethyl phosphite) is sourced from PubChem (CID 87465062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).