3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

C17H30O6P2 — CID 22899546

IUPAC3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESC1CCC(OP2OCC3(CO2)COP(OC2CCCCC2)OC3)CC1
InChIInChI=1S/C17H30O6P2/c1-3-7-15(8-4-1)22-24-18-11-17(12-19-24)13-20-25(21-14-17)23-16-9-5-2-6-10-16/h15-16H,1-14H2
InChIKeyIVUCJUPDYQUWDV-UHFFFAOYSA-N
MW392.37 g/mol
LogP5.22
Rot. Bonds4

About 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 22899546) has the molecular formula C17H30O6P2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID22899546
Molecular FormulaC17H30O6P2
Molecular Weight392.37 g/mol
Exact Mass392.15
IUPAC Name3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESC1CCC(OP2OCC3(CO2)COP(OC2CCCCC2)OC3)CC1
InChIInChI=1S/C17H30O6P2/c1-3-7-15(8-4-1)22-24-18-11-17(12-19-24)13-20-25(21-14-17)23-16-9-5-2-6-10-16/h15-16H,1-14H2
InChIKeyIVUCJUPDYQUWDV-UHFFFAOYSA-N
XLogP5.22
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 22899546) is 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is C1CCC(OP2OCC3(CO2)COP(OC2CCCCC2)OC3)CC1.
What is the InChIKey of 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is IVUCJUPDYQUWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O6P2/c1-3-7-15(8-4-1)22-24-18-11-17(12-19-24)13-20-25(21-14-17)23-16-9-5-2-6-10-16/h15-16H,1-14H2.
What are the key properties of 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 392.37 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dicyclohexyloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 22899546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).