calcium hexadecyl-dioxido-oxo-λ5-phosphane

C16H33CaO3P — CID 87400108

IUPACcalcium hexadecyl-dioxido-oxo-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCP(=O)([O-])[O-].[Ca+2]
InChIInChI=1S/C16H35O3P.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+2/p-2
InChIKeyYHJGTPMCSSTCGY-UHFFFAOYSA-L
MW344.49 g/mol
LogP4.00
Rot. Bonds15

About calcium hexadecyl-dioxido-oxo-λ5-phosphane

calcium hexadecyl-dioxido-oxo-λ5-phosphane (PubChem CID 87400108) has the molecular formula C16H33CaO3P and a molecular weight of 344.49 g/mol. Its IUPAC name is calcium hexadecyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namecalcium hexadecyl-dioxido-oxo-λ5-phosphane
PubChem CID87400108
Molecular FormulaC16H33CaO3P
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC Namecalcium hexadecyl-dioxido-oxo-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCP(=O)([O-])[O-].[Ca+2]
InChIInChI=1S/C16H35O3P.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+2/p-2
InChIKeyYHJGTPMCSSTCGY-UHFFFAOYSA-L
XLogP4.00
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 54.00
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
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
magnesium dodecyl-dioxido-oxo-λ5-phosphane
CID 165391544
calcium bis(dihexylphosphinate)
CID 170549963
dipotassium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
CID 6454180
aluminum tris(didecylphosphinate)
CID 175205611
sodium dioctylphosphinate
CID 23691904
bis(dioctylphosphinate);nickel(2+)
CID 22743879
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
tricalcium;octadecan-1-amine;diphosphate
CID 174663264
bis(diheptylphosphinate);nickel(2+)
CID 22743867
magnesium methyl(octyl)phosphinate
CID 176884397

Frequently Asked Questions

What is the IUPAC name of calcium hexadecyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of calcium hexadecyl-dioxido-oxo-λ5-phosphane (CID 87400108) is calcium hexadecyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for calcium hexadecyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for calcium hexadecyl-dioxido-oxo-λ5-phosphane is CCCCCCCCCCCCCCCCP(=O)([O-])[O-].[Ca+2].
What is the InChIKey of calcium hexadecyl-dioxido-oxo-λ5-phosphane?
The InChIKey is YHJGTPMCSSTCGY-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H35O3P.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+2/p-2.
What are the key properties of calcium hexadecyl-dioxido-oxo-λ5-phosphane?
calcium hexadecyl-dioxido-oxo-λ5-phosphane has a molecular weight of 344.49 g/mol, XLogP of 4.00, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium hexadecyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 87400108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).