dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)

C3H10Ca2O6P2 — CID 160609044

IUPACdicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)
SMILESC.CP(=O)([O-])[O-].CP(=O)([O-])[O-].[Ca+2].[Ca+2]
InChIInChI=1S/2CH5O3P.CH4.2Ca/c2*1-5(2,3)4;;;/h2*1H3,(H2,2,3,4);1H4;;/q;;;2*+2/p-4
InChIKeyZTROIQJXTBMHKQ-UHFFFAOYSA-J
MW284.21 g/mol
LogP-3.07
Rot. Bonds

About dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)

dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane) (PubChem CID 160609044) has the molecular formula C3H10Ca2O6P2 and a molecular weight of 284.21 g/mol. Its IUPAC name is dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane).

Molecular Properties

Compound Namedicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)
PubChem CID160609044
Molecular FormulaC3H10Ca2O6P2
Molecular Weight284.21 g/mol
Exact Mass283.92
IUPAC Namedicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)
SMILESC.CP(=O)([O-])[O-].CP(=O)([O-])[O-].[Ca+2].[Ca+2]
InChIInChI=1S/2CH5O3P.CH4.2Ca/c2*1-5(2,3)4;;;/h2*1H3,(H2,2,3,4);1H4;;/q;;;2*+2/p-4
InChIKeyZTROIQJXTBMHKQ-UHFFFAOYSA-J
XLogP-3.07
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 5-3.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium methyl-dioxido-oxo-λ5-phosphane
CID 59434200
methane phosphate
CID 22352647
molybdenum diphosphate
CID 22395595
pentacalcium;phosphate
CID 23104844
calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate
CID 87094338
amino(methyl)phosphinate
CID 18377257
tricalcium;zirconium(4+);phosphate
CID 172787637
tetracalcium;hydride;diphosphate
CID 173034518
tricalcium;silver;phosphate
CID 161015169
octacalcium;phosphate;pentahydrate
CID 22051766
iron(3+);methane;phosphate
CID 88850558
molybdenum;tris(vanadium);undecaphosphate
CID 18374020

Frequently Asked Questions

What is the IUPAC name of dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)?
The IUPAC name of dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane) (CID 160609044) is dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane).
What is the SMILES notation for dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)?
The canonical SMILES for dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane) is C.CP(=O)([O-])[O-].CP(=O)([O-])[O-].[Ca+2].[Ca+2].
What is the InChIKey of dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)?
The InChIKey is ZTROIQJXTBMHKQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH5O3P.CH4.2Ca/c2*1-5(2,3)4;;;/h2*1H3,(H2,2,3,4);1H4;;/q;;;2*+2/p-4.
What are the key properties of dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)?
dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane) has a molecular weight of 284.21 g/mol, XLogP of -3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane) is sourced from PubChem (CID 160609044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).