11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane

C19H26O2 — CID 23656723

IUPAC11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane
SMILESc1ccc(C2CCC3(CC2)CC2(CCCCC2)OO3)cc1
InChIInChI=1S/C19H26O2/c1-3-7-16(8-4-1)17-9-13-19(14-10-17)15-18(20-21-19)11-5-2-6-12-18/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyDELGMIZANSADFG-UHFFFAOYSA-N
MW286.41 g/mol
LogP5.14
Rot. Bonds1

About 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane

11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane (PubChem CID 23656723) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane.

Molecular Properties

Compound Name11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane
PubChem CID23656723
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane
SMILESc1ccc(C2CCC3(CC2)CC2(CCCCC2)OO3)cc1
InChIInChI=1S/C19H26O2/c1-3-7-16(8-4-1)17-9-13-19(14-10-17)15-18(20-21-19)11-5-2-6-12-18/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyDELGMIZANSADFG-UHFFFAOYSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane?
The IUPAC name of 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane (CID 23656723) is 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane.
What is the SMILES notation for 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane?
The canonical SMILES for 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane is c1ccc(C2CCC3(CC2)CC2(CCCCC2)OO3)cc1.
What is the InChIKey of 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane?
The InChIKey is DELGMIZANSADFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-3-7-16(8-4-1)17-9-13-19(14-10-17)15-18(20-21-19)11-5-2-6-12-18/h1,3-4,7-8,17H,2,5-6,9-15H2.
What are the key properties of 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane?
11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane has a molecular weight of 286.41 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-14,15-dioxadispiro[5.1.58.26]pentadecane is sourced from PubChem (CID 23656723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).