dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate

C36H68O19P6 — CID 175086196

IUPACdicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
SMILESO=P(O)(O)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C36H68O19P6/c37-56(38,39)51-58(41,47-33-23-11-3-12-24-33)53-60(43,49-35-27-15-5-16-28-35)55-61(44,50-36-29-17-6-18-30-36)54-59(42,48-34-25-13-4-14-26-34)52-57(40,45-31-19-7-1-8-20-31)46-32-21-9-2-10-22-32/h31-36H,1-30H2,(H2,37,38,39)
InChIKeyQYICFZIGTHQYLB-UHFFFAOYSA-N
MW990.76 g/mol
LogP13.80
Rot. Bonds22

About dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate

dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate (PubChem CID 175086196) has the molecular formula C36H68O19P6 and a molecular weight of 990.76 g/mol. Its IUPAC name is dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate.

Molecular Properties

Compound Namedicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
PubChem CID175086196
Molecular FormulaC36H68O19P6
Molecular Weight990.76 g/mol
Exact Mass990.28
IUPAC Namedicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
SMILESO=P(O)(O)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C36H68O19P6/c37-56(38,39)51-58(41,47-33-23-11-3-12-24-33)53-60(43,49-35-27-15-5-16-28-35)55-61(44,50-36-29-17-6-18-30-36)54-59(42,48-34-25-13-4-14-26-34)52-57(40,45-31-19-7-1-8-20-31)46-32-21-9-2-10-22-32/h31-36H,1-30H2,(H2,37,38,39)
InChIKeyQYICFZIGTHQYLB-UHFFFAOYSA-N
XLogP13.80
TPSA244.41 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.76
LogP ≤ 513.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tricyclooctyl phosphate
CID 22995283
[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate
CID 91239957
dicyclohexyl [cyclohexyloxy(cyclohexylsulfanyloxy)phosphoryl] phosphate
CID 88808030
tricyclobutyl phosphate
CID 66609052
azanide;cyclohexyloxy-[[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphinic acid;platinum(2+)
CID 58140306
cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87475771
cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine
CID 174717121
dicyclohexyl ethenyl phosphate
CID 152633991
cyclohexyloxycarbonylphosphonic acid
CID 512087
cyclohexyl(phosphonooxy)phosphinic acid;methane
CID 88826552
[dichloro-[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphonic acid
CID 54148021
bis(dicyclohexyl phosphate);nickel(2+)
CID 22768614

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
The IUPAC name of dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate (CID 175086196) is dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate.
What is the SMILES notation for dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
The canonical SMILES for dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate is O=P(O)(O)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OP(=O)(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
The InChIKey is QYICFZIGTHQYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H68O19P6/c37-56(38,39)51-58(41,47-33-23-11-3-12-24-33)53-60(43,49-35-27-15-5-16-28-35)55-61(44,50-36-29-17-6-18-30-36)54-59(42,48-34-25-13-4-14-26-34)52-57(40,45-31-19-7-1-8-20-31)46-32-21-9-2-10-22-32/h31-36H,1-30H2,(H2,37,38,39).
What are the key properties of dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate has a molecular weight of 990.76 g/mol, XLogP of 13.80, 22 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate is sourced from PubChem (CID 175086196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).