hexadecane;phosphoric acid;zinc

C16H36O4PZn- — CID 87392873

IUPAChexadecane;phosphoric acid;zinc
SMILESO=P(O)(O)O.[CH2-]CCCCCCCCCCCCCCC.[Zn]
InChIInChI=1S/C16H33.H3O4P.Zn/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-5(2,3)4;/h1,3-16H2,2H3;(H3,1,2,3,4);/q-1;;
InChIKeyMFVXLXARGAFTSS-UHFFFAOYSA-N
MW388.82 g/mol
LogP5.37
Rot. Bonds13

About hexadecane;phosphoric acid;zinc

hexadecane;phosphoric acid;zinc (PubChem CID 87392873) has the molecular formula C16H36O4PZn- and a molecular weight of 388.82 g/mol. Its IUPAC name is hexadecane;phosphoric acid;zinc.

Molecular Properties

Compound Namehexadecane;phosphoric acid;zinc
PubChem CID87392873
Molecular FormulaC16H36O4PZn-
Molecular Weight388.82 g/mol
Exact Mass387.16
IUPAC Namehexadecane;phosphoric acid;zinc
SMILESO=P(O)(O)O.[CH2-]CCCCCCCCCCCCCCC.[Zn]
InChIInChI=1S/C16H33.H3O4P.Zn/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-5(2,3)4;/h1,3-16H2,2H3;(H3,1,2,3,4);/q-1;;
InChIKeyMFVXLXARGAFTSS-UHFFFAOYSA-N
XLogP5.37
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.82
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173337658
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CID 174405180
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cadmium;octadecane;phosphoric acid
CID 174848496
bis(hexane);neodymium;phosphoric acid
CID 159368892
octane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174708790
dodecane;phosphoric acid
CID 88801558
bis(octane);zinc
CID 175041964
copper;dodecane;phosphate
CID 175065240
trizinc;tris(dodecane);phosphate
CID 159186439
bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174574861
heptadecane
CID 156905849

Frequently Asked Questions

What is the IUPAC name of hexadecane;phosphoric acid;zinc?
The IUPAC name of hexadecane;phosphoric acid;zinc (CID 87392873) is hexadecane;phosphoric acid;zinc.
What is the SMILES notation for hexadecane;phosphoric acid;zinc?
The canonical SMILES for hexadecane;phosphoric acid;zinc is O=P(O)(O)O.[CH2-]CCCCCCCCCCCCCCC.[Zn].
What is the InChIKey of hexadecane;phosphoric acid;zinc?
The InChIKey is MFVXLXARGAFTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33.H3O4P.Zn/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-5(2,3)4;/h1,3-16H2,2H3;(H3,1,2,3,4);/q-1;;.
What are the key properties of hexadecane;phosphoric acid;zinc?
hexadecane;phosphoric acid;zinc has a molecular weight of 388.82 g/mol, XLogP of 5.37, 13 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;phosphoric acid;zinc is sourced from PubChem (CID 87392873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).