12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane

C16H28O4 — CID 102038641

IUPAC12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
SMILESCC(C)(C)C1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C16H28O4/c1-14(2,3)13-7-11-16(12-8-13)19-17-15(18-20-16)9-5-4-6-10-15/h13H,4-12H2,1-3H3
InChIKeyPXQLAKIMVYUQPC-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.49
Rot. Bonds

About 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane

12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane (PubChem CID 102038641) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane.

Molecular Properties

Compound Name12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
PubChem CID102038641
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
SMILESCC(C)(C)C1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C16H28O4/c1-14(2,3)13-7-11-16(12-8-13)19-17-15(18-20-16)9-5-4-6-10-15/h13H,4-12H2,1-3H3
InChIKeyPXQLAKIMVYUQPC-UHFFFAOYSA-N
XLogP4.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane?
The IUPAC name of 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane (CID 102038641) is 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane.
What is the SMILES notation for 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane?
The canonical SMILES for 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane is CC(C)(C)C1CCC2(CC1)OOC1(CCCCC1)OO2.
What is the InChIKey of 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane?
The InChIKey is PXQLAKIMVYUQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-14(2,3)13-7-11-16(12-8-13)19-17-15(18-20-16)9-5-4-6-10-15/h13H,4-12H2,1-3H3.
What are the key properties of 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane?
12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane has a molecular weight of 284.40 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane is sourced from PubChem (CID 102038641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).