calcium bis(octoxy-oxido-oxophosphanium)

C16H34CaO6P2+2 — CID 57351629

IUPACcalcium bis(octoxy-oxido-oxophosphanium)
SMILESCCCCCCCCO[P+](=O)[O-].CCCCCCCCO[P+](=O)[O-].[Ca+2]
InChIInChI=1S/2C8H17O3P.Ca/c2*1-2-3-4-5-6-7-8-11-12(9)10;/h2*2-8H2,1H3;/q;;+2
InChIKeyCOAYKHNQYGEVKE-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.38
Rot. Bonds16

About calcium bis(octoxy-oxido-oxophosphanium)

calcium bis(octoxy-oxido-oxophosphanium) (PubChem CID 57351629) has the molecular formula C16H34CaO6P2+2 and a molecular weight of 424.47 g/mol. Its IUPAC name is calcium bis(octoxy-oxido-oxophosphanium).

Molecular Properties

Compound Namecalcium bis(octoxy-oxido-oxophosphanium)
PubChem CID57351629
Molecular FormulaC16H34CaO6P2+2
Molecular Weight424.47 g/mol
Exact Mass424.14
IUPAC Namecalcium bis(octoxy-oxido-oxophosphanium)
SMILESCCCCCCCCO[P+](=O)[O-].CCCCCCCCO[P+](=O)[O-].[Ca+2]
InChIInChI=1S/2C8H17O3P.Ca/c2*1-2-3-4-5-6-7-8-11-12(9)10;/h2*2-8H2,1H3;/q;;+2
InChIKeyCOAYKHNQYGEVKE-UHFFFAOYSA-N
XLogP4.38
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
oxido-oxo-tetracosoxyphosphanium
CID 57352033
calcium bis(butoxy-oxido-oxophosphanium)
CID 161238032
ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium
CID 22174412
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
magnesium bis(oxido-oxo-propoxyphosphanium)
CID 158469666
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301

Frequently Asked Questions

What is the IUPAC name of calcium bis(octoxy-oxido-oxophosphanium)?
The IUPAC name of calcium bis(octoxy-oxido-oxophosphanium) (CID 57351629) is calcium bis(octoxy-oxido-oxophosphanium).
What is the SMILES notation for calcium bis(octoxy-oxido-oxophosphanium)?
The canonical SMILES for calcium bis(octoxy-oxido-oxophosphanium) is CCCCCCCCO[P+](=O)[O-].CCCCCCCCO[P+](=O)[O-].[Ca+2].
What is the InChIKey of calcium bis(octoxy-oxido-oxophosphanium)?
The InChIKey is COAYKHNQYGEVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17O3P.Ca/c2*1-2-3-4-5-6-7-8-11-12(9)10;/h2*2-8H2,1H3;/q;;+2.
What are the key properties of calcium bis(octoxy-oxido-oxophosphanium)?
calcium bis(octoxy-oxido-oxophosphanium) has a molecular weight of 424.47 g/mol, XLogP of 4.38, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(octoxy-oxido-oxophosphanium) is sourced from PubChem (CID 57351629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).