9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

C54H96O6P2 — CID 143459144

IUPAC9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCC(C)(C1CCCCC1)C1CCCC(OP2OCC3(CO2)COP(OC2CCC(C(C)(C)C4CCCCC4)CC2C(C)(C)C2CCCCC2)OC3)C(C(C)(C)C2CCCCC2)C1
InChIInChI=1S/C54H96O6P2/c1-50(2,40-22-13-9-14-23-40)44-30-21-31-48(46(34-44)52(5,6)42-26-17-11-18-27-42)59-61-55-36-54(37-56-61)38-57-62(58-39-54)60-49-33-32-45(51(3,4)41-24-15-10-16-25-41)35-47(49)53(7,8)43-28-19-12-20-29-43/h40-49H,9-39H2,1-8H3
InChIKeyGNZQTUSILJUREX-UHFFFAOYSA-N
MW903.30 g/mol
LogP16.94
Rot. Bonds12

About 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 143459144) has the molecular formula C54H96O6P2 and a molecular weight of 903.30 g/mol. Its IUPAC name is 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID143459144
Molecular FormulaC54H96O6P2
Molecular Weight903.30 g/mol
Exact Mass902.67
IUPAC Name9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCC(C)(C1CCCCC1)C1CCCC(OP2OCC3(CO2)COP(OC2CCC(C(C)(C)C4CCCCC4)CC2C(C)(C)C2CCCCC2)OC3)C(C(C)(C)C2CCCCC2)C1
InChIInChI=1S/C54H96O6P2/c1-50(2,40-22-13-9-14-23-40)44-30-21-31-48(46(34-44)52(5,6)42-26-17-11-18-27-42)59-61-55-36-54(37-56-61)38-57-62(58-39-54)60-49-33-32-45(51(3,4)41-24-15-10-16-25-41)35-47(49)53(7,8)43-28-19-12-20-29-43/h40-49H,9-39H2,1-8H3
InChIKeyGNZQTUSILJUREX-UHFFFAOYSA-N
XLogP16.94
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.30
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane with MolForge

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Related Compounds

9-hydroxy-3-[4-[2-[4-[(9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 22899554
3,9-bis[(2-tert-butyl-4-nonylcyclohexyl)oxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 140560656
3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 22899546
1-(2-cyclopentylpropan-2-yl)-3-methylcyclopentane
CID 163483519
2-cyclohexyloxy-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 21448852
2-(2-cyclohexylpropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 15920186
2-cyclopentyloxy-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 21448936
1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane
CID 20647647
2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol
CID 144841343
4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol
CID 19694020
[4-(2-cyclohexylpropan-2-yl)cyclohexyl] 5-(2-cyclohexylpropan-2-yl)-2-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycyclohexane-1-carboxylate
CID 140514736
1-(2-cyclohexylpropan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
CID 91081073

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 143459144) is 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CC(C)(C1CCCCC1)C1CCCC(OP2OCC3(CO2)COP(OC2CCC(C(C)(C)C4CCCCC4)CC2C(C)(C)C2CCCCC2)OC3)C(C(C)(C)C2CCCCC2)C1.
What is the InChIKey of 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is GNZQTUSILJUREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H96O6P2/c1-50(2,40-22-13-9-14-23-40)44-30-21-31-48(46(34-44)52(5,6)42-26-17-11-18-27-42)59-61-55-36-54(37-56-61)38-57-62(58-39-54)60-49-33-32-45(51(3,4)41-24-15-10-16-25-41)35-47(49)53(7,8)43-28-19-12-20-29-43/h40-49H,9-39H2,1-8H3.
What are the key properties of 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 903.30 g/mol, XLogP of 16.94, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(2-cyclohexylpropan-2-yl)cycloheptyl]oxy-3-[2,4-bis(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 143459144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).