cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane

C13H27CdO3P — CID 23340104

IUPACcadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCP(=O)([O-])[O-].[Cd+2]
InChIInChI=1S/C13H29O3P.Cd/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16;/h2-13H2,1H3,(H2,14,15,16);/q;+2/p-2
InChIKeyBPAQHNXEXYPUHN-UHFFFAOYSA-L
MW374.74 g/mol
LogP3.21
Rot. Bonds12

About cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane

cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane (PubChem CID 23340104) has the molecular formula C13H27CdO3P and a molecular weight of 374.74 g/mol. Its IUPAC name is cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane.

Molecular Properties

Compound Namecadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
PubChem CID23340104
Molecular FormulaC13H27CdO3P
Molecular Weight374.74 g/mol
Exact Mass376.07
IUPAC Namecadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCP(=O)([O-])[O-].[Cd+2]
InChIInChI=1S/C13H29O3P.Cd/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16;/h2-13H2,1H3,(H2,14,15,16);/q;+2/p-2
InChIKeyBPAQHNXEXYPUHN-UHFFFAOYSA-L
XLogP3.21
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.74
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
magnesium dodecyl-dioxido-oxo-λ5-phosphane
CID 165391544
dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
CID 6454180
sodium dioctylphosphinate
CID 23691904
aluminum tris(didecylphosphinate)
CID 175205611
bis(dioctylphosphinate);nickel(2+)
CID 22743879
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
bis(diheptylphosphinate);nickel(2+)
CID 22743867
magnesium methyl(octyl)phosphinate
CID 176884397
aluminum tris(dipentylphosphinate)
CID 175031786

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane?
The IUPAC name of cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane (CID 23340104) is cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane.
What is the SMILES notation for cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane?
The canonical SMILES for cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane is CCCCCCCCCCCCCP(=O)([O-])[O-].[Cd+2].
What is the InChIKey of cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane?
The InChIKey is BPAQHNXEXYPUHN-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H29O3P.Cd/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16;/h2-13H2,1H3,(H2,14,15,16);/q;+2/p-2.
What are the key properties of cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane?
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane has a molecular weight of 374.74 g/mol, XLogP of 3.21, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane is sourced from PubChem (CID 23340104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).