copper;octan-3-yl dihydrogen phosphate

C8H19CuO4P — CID 174493101

IUPACcopper;octan-3-yl dihydrogen phosphate
SMILESCCCCCC(CC)OP(=O)(O)O.[Cu]
InChIInChI=1S/C8H19O4P.Cu/c1-3-5-6-7-8(4-2)12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);
InChIKeyBBVBKHUYKKWCAY-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.45
Rot. Bonds7

About copper;octan-3-yl dihydrogen phosphate

copper;octan-3-yl dihydrogen phosphate (PubChem CID 174493101) has the molecular formula C8H19CuO4P and a molecular weight of 273.76 g/mol. Its IUPAC name is copper;octan-3-yl dihydrogen phosphate.

Molecular Properties

Compound Namecopper;octan-3-yl dihydrogen phosphate
PubChem CID174493101
Molecular FormulaC8H19CuO4P
Molecular Weight273.76 g/mol
Exact Mass273.03
IUPAC Namecopper;octan-3-yl dihydrogen phosphate
SMILESCCCCCC(CC)OP(=O)(O)O.[Cu]
InChIInChI=1S/C8H19O4P.Cu/c1-3-5-6-7-8(4-2)12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);
InChIKeyBBVBKHUYKKWCAY-UHFFFAOYSA-N
XLogP2.45
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
azane;decan-5-yl dihydrogen phosphate
CID 88685768
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
henicosan-4-yl dihydrogen phosphate
CID 175269897
didecan-3-yl hydrogen phosphate
CID 22497654
1-hydroxyoctadecan-3-yl dihydrogen phosphate
CID 139888263
trioctan-3-yl phosphate
CID 22497520
3-octan-3-yloxyoctane;phosphoric acid
CID 118002382
2-phosphonooxydecylazanium
CID 102322927
2-methyldodecan-5-yl dihydrogen phosphate
CID 23120845
trimethyl(2-phosphonooxyoctyl)azanium
CID 87551003

Frequently Asked Questions

What is the IUPAC name of copper;octan-3-yl dihydrogen phosphate?
The IUPAC name of copper;octan-3-yl dihydrogen phosphate (CID 174493101) is copper;octan-3-yl dihydrogen phosphate.
What is the SMILES notation for copper;octan-3-yl dihydrogen phosphate?
The canonical SMILES for copper;octan-3-yl dihydrogen phosphate is CCCCCC(CC)OP(=O)(O)O.[Cu].
What is the InChIKey of copper;octan-3-yl dihydrogen phosphate?
The InChIKey is BBVBKHUYKKWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P.Cu/c1-3-5-6-7-8(4-2)12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);.
What are the key properties of copper;octan-3-yl dihydrogen phosphate?
copper;octan-3-yl dihydrogen phosphate has a molecular weight of 273.76 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;octan-3-yl dihydrogen phosphate is sourced from PubChem (CID 174493101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).