dioxido-oxo-tridecyl-λ5-phosphane

C13H27O3P-2 — CID 23340102

IUPACdioxido-oxo-tridecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCP(=O)([O-])[O-]
InChIInChI=1S/C13H29O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h2-13H2,1H3,(H2,14,15,16)/p-2
InChIKeyKREGXBHGJXTOKZ-UHFFFAOYSA-L
MW262.33 g/mol
LogP3.21
Rot. Bonds12

About dioxido-oxo-tridecyl-λ5-phosphane

dioxido-oxo-tridecyl-λ5-phosphane (PubChem CID 23340102) has the molecular formula C13H27O3P-2 and a molecular weight of 262.33 g/mol. Its IUPAC name is dioxido-oxo-tridecyl-λ5-phosphane.

Molecular Properties

Compound Namedioxido-oxo-tridecyl-λ5-phosphane
PubChem CID23340102
Molecular FormulaC13H27O3P-2
Molecular Weight262.33 g/mol
Exact Mass262.17
IUPAC Namedioxido-oxo-tridecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCP(=O)([O-])[O-]
InChIInChI=1S/C13H29O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h2-13H2,1H3,(H2,14,15,16)/p-2
InChIKeyKREGXBHGJXTOKZ-UHFFFAOYSA-L
XLogP3.21
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
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'}

Analyze dioxido-oxo-tridecyl-λ5-phosphane 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 hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
magnesium dodecyl-dioxido-oxo-λ5-phosphane
CID 165391544
dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
CID 6454180
bis(dioctylphosphinate);nickel(2+)
CID 22743879
aluminum tris(didecylphosphinate)
CID 175205611
sodium dioctylphosphinate
CID 23691904
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
bis(diheptylphosphinate);nickel(2+)
CID 22743867
magnesium methyl(octyl)phosphinate
CID 176884397
bis(dipentylphosphinate);nickel(2+)
CID 22743871

Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-tridecyl-λ5-phosphane?
The IUPAC name of dioxido-oxo-tridecyl-λ5-phosphane (CID 23340102) is dioxido-oxo-tridecyl-λ5-phosphane.
What is the SMILES notation for dioxido-oxo-tridecyl-λ5-phosphane?
The canonical SMILES for dioxido-oxo-tridecyl-λ5-phosphane is CCCCCCCCCCCCCP(=O)([O-])[O-].
What is the InChIKey of dioxido-oxo-tridecyl-λ5-phosphane?
The InChIKey is KREGXBHGJXTOKZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H29O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h2-13H2,1H3,(H2,14,15,16)/p-2.
What are the key properties of dioxido-oxo-tridecyl-λ5-phosphane?
dioxido-oxo-tridecyl-λ5-phosphane has a molecular weight of 262.33 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 dioxido-oxo-tridecyl-λ5-phosphane is sourced from PubChem (CID 23340102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).