nonadecan-2-yl phosphate

C19H39O4P-2 — CID 21219886

IUPACnonadecan-2-yl phosphate
SMILESCCCCCCCCCCCCCCCCCC(C)OP(=O)([O-])[O-]
InChIInChI=1S/C19H41O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)23-24(20,21)22/h19H,3-18H2,1-2H3,(H2,20,21,22)/p-2
InChIKeyWMXFKCARAHYNML-UHFFFAOYSA-L
MW362.49 g/mol
LogP5.48
Rot. Bonds18

About nonadecan-2-yl phosphate

nonadecan-2-yl phosphate (PubChem CID 21219886) has the molecular formula C19H39O4P-2 and a molecular weight of 362.49 g/mol. Its IUPAC name is nonadecan-2-yl phosphate.

Molecular Properties

Compound Namenonadecan-2-yl phosphate
PubChem CID21219886
Molecular FormulaC19H39O4P-2
Molecular Weight362.49 g/mol
Exact Mass362.26
IUPAC Namenonadecan-2-yl phosphate
SMILESCCCCCCCCCCCCCCCCCC(C)OP(=O)([O-])[O-]
InChIInChI=1S/C19H41O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)23-24(20,21)22/h19H,3-18H2,1-2H3,(H2,20,21,22)/p-2
InChIKeyWMXFKCARAHYNML-UHFFFAOYSA-L
XLogP5.48
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 55.48
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

dipotassium;tridecan-2-yl phosphate
CID 139671549
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
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
bis(2-ethylhexyl octan-2-yl phosphate);nickel(2+)
CID 87135845

Frequently Asked Questions

What is the IUPAC name of nonadecan-2-yl phosphate?
The IUPAC name of nonadecan-2-yl phosphate (CID 21219886) is nonadecan-2-yl phosphate.
What is the SMILES notation for nonadecan-2-yl phosphate?
The canonical SMILES for nonadecan-2-yl phosphate is CCCCCCCCCCCCCCCCCC(C)OP(=O)([O-])[O-].
What is the InChIKey of nonadecan-2-yl phosphate?
The InChIKey is WMXFKCARAHYNML-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H41O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)23-24(20,21)22/h19H,3-18H2,1-2H3,(H2,20,21,22)/p-2.
What are the key properties of nonadecan-2-yl phosphate?
nonadecan-2-yl phosphate has a molecular weight of 362.49 g/mol, XLogP of 5.48, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecan-2-yl phosphate is sourced from PubChem (CID 21219886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).