dipotassium;tridecan-2-yl phosphate

C13H27K2O4P — CID 139671549

IUPACdipotassium;tridecan-2-yl phosphate
SMILESCCCCCCCCCCCC(C)OP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C13H29O4P.2K/c1-3-4-5-6-7-8-9-10-11-12-13(2)17-18(14,15)16;;/h13H,3-12H2,1-2H3,(H2,14,15,16);;/q;2*+1/p-2
InChIKeyOGUJGRWTZLKQGR-UHFFFAOYSA-L
MW356.53 g/mol
LogP-2.85
Rot. Bonds12

About dipotassium;tridecan-2-yl phosphate

dipotassium;tridecan-2-yl phosphate (PubChem CID 139671549) has the molecular formula C13H27K2O4P and a molecular weight of 356.53 g/mol. Its IUPAC name is dipotassium;tridecan-2-yl phosphate.

Molecular Properties

Compound Namedipotassium;tridecan-2-yl phosphate
PubChem CID139671549
Molecular FormulaC13H27K2O4P
Molecular Weight356.53 g/mol
Exact Mass356.09
IUPAC Namedipotassium;tridecan-2-yl phosphate
SMILESCCCCCCCCCCCC(C)OP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C13H29O4P.2K/c1-3-4-5-6-7-8-9-10-11-12-13(2)17-18(14,15)16;;/h13H,3-12H2,1-2H3,(H2,14,15,16);;/q;2*+1/p-2
InChIKeyOGUJGRWTZLKQGR-UHFFFAOYSA-L
XLogP-2.85
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

nonadecan-2-yl phosphate
CID 21219886
dioctan-2-yl phosphate;iron(2+)
CID 157379729
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
decan-2-yloxy(methyl)phosphinate
CID 170850603
2-[ethyl(octan-2-yloxy)phosphoryl]oxyoctane
CID 170850980
2-[octan-2-yl(octan-2-yloxy)phosphoryl]oxyoctane
CID 88710365
dihexan-2-yl phosphate;zinc
CID 140567710
dipotassium;butan-2-yl phosphate
CID 21353345
disodium;octan-3-yl phosphate
CID 87948378
octan-2-yloxy(propyl)phosphinic acid
CID 87194607
2-ethylhexyl octan-2-yl phosphate
CID 18459399
decan-2-yl fluoro hydrogen phosphate
CID 175171865

Frequently Asked Questions

What is the IUPAC name of dipotassium;tridecan-2-yl phosphate?
The IUPAC name of dipotassium;tridecan-2-yl phosphate (CID 139671549) is dipotassium;tridecan-2-yl phosphate.
What is the SMILES notation for dipotassium;tridecan-2-yl phosphate?
The canonical SMILES for dipotassium;tridecan-2-yl phosphate is CCCCCCCCCCCC(C)OP(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;tridecan-2-yl phosphate?
The InChIKey is OGUJGRWTZLKQGR-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H29O4P.2K/c1-3-4-5-6-7-8-9-10-11-12-13(2)17-18(14,15)16;;/h13H,3-12H2,1-2H3,(H2,14,15,16);;/q;2*+1/p-2.
What are the key properties of dipotassium;tridecan-2-yl phosphate?
dipotassium;tridecan-2-yl phosphate has a molecular weight of 356.53 g/mol, XLogP of -2.85, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;tridecan-2-yl phosphate is sourced from PubChem (CID 139671549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).