calcium bis(butoxy-oxido-oxophosphanium)

C8H18CaO6P2+2 — CID 161238032

IUPACcalcium bis(butoxy-oxido-oxophosphanium)
SMILESCCCCO[P+](=O)[O-].CCCCO[P+](=O)[O-].[Ca+2]
InChIInChI=1S/2C4H9O3P.Ca/c2*1-2-3-4-7-8(5)6;/h2*2-4H2,1H3;/q;;+2
InChIKeyZLVWMUBWPJCYQC-UHFFFAOYSA-N
MW312.25 g/mol
LogP1.26
Rot. Bonds8

About calcium bis(butoxy-oxido-oxophosphanium)

calcium bis(butoxy-oxido-oxophosphanium) (PubChem CID 161238032) has the molecular formula C8H18CaO6P2+2 and a molecular weight of 312.25 g/mol. Its IUPAC name is calcium bis(butoxy-oxido-oxophosphanium).

Molecular Properties

Compound Namecalcium bis(butoxy-oxido-oxophosphanium)
PubChem CID161238032
Molecular FormulaC8H18CaO6P2+2
Molecular Weight312.25 g/mol
Exact Mass312.02
IUPAC Namecalcium bis(butoxy-oxido-oxophosphanium)
SMILESCCCCO[P+](=O)[O-].CCCCO[P+](=O)[O-].[Ca+2]
InChIInChI=1S/2C4H9O3P.Ca/c2*1-2-3-4-7-8(5)6;/h2*2-4H2,1H3;/q;;+2
InChIKeyZLVWMUBWPJCYQC-UHFFFAOYSA-N
XLogP1.26
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.26
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'}

Analyze calcium bis(butoxy-oxido-oxophosphanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium bis(octoxy-oxido-oxophosphanium)
CID 57351629
bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
oxido-oxo-tetracosoxyphosphanium
CID 57352033
magnesium bis(oxido-oxo-propoxyphosphanium)
CID 158469666
ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium
CID 22174412
calcium bis(2-(4-nonylphenoxy)ethoxy-oxido-oxophosphanium)
CID 169488118
butoxy-dodecoxy-oxophosphanium
CID 175103299
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
dipotassium bis(4-hydroxybutoxy-oxido-oxophosphanium)
CID 57356188
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301
butoxy-(dichloromethyl)-oxophosphanium
CID 154120622

Frequently Asked Questions

What is the IUPAC name of calcium bis(butoxy-oxido-oxophosphanium)?
The IUPAC name of calcium bis(butoxy-oxido-oxophosphanium) (CID 161238032) is calcium bis(butoxy-oxido-oxophosphanium).
What is the SMILES notation for calcium bis(butoxy-oxido-oxophosphanium)?
The canonical SMILES for calcium bis(butoxy-oxido-oxophosphanium) is CCCCO[P+](=O)[O-].CCCCO[P+](=O)[O-].[Ca+2].
What is the InChIKey of calcium bis(butoxy-oxido-oxophosphanium)?
The InChIKey is ZLVWMUBWPJCYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O3P.Ca/c2*1-2-3-4-7-8(5)6;/h2*2-4H2,1H3;/q;;+2.
What are the key properties of calcium bis(butoxy-oxido-oxophosphanium)?
calcium bis(butoxy-oxido-oxophosphanium) has a molecular weight of 312.25 g/mol, XLogP of 1.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(butoxy-oxido-oxophosphanium) is sourced from PubChem (CID 161238032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).