2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane

C15H26O2 — CID 171768926

IUPAC2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
SMILESCC(C)(C)C1CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C15H26O2/c1-13(2,3)12-10-14(11-12)4-6-15(7-5-14)16-8-9-17-15/h12H,4-11H2,1-3H3
InChIKeyIANPWAOBLSVKRL-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.75
Rot. Bonds

About 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane

2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane (PubChem CID 171768926) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane.

Molecular Properties

Compound Name2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
PubChem CID171768926
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
SMILESCC(C)(C)C1CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C15H26O2/c1-13(2,3)12-10-14(11-12)4-6-15(7-5-14)16-8-9-17-15/h12H,4-11H2,1-3H3
InChIKeyIANPWAOBLSVKRL-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane?
The IUPAC name of 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane (CID 171768926) is 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane.
What is the SMILES notation for 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane?
The canonical SMILES for 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane is CC(C)(C)C1CC2(CCC3(CC2)OCCO3)C1.
What is the InChIKey of 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane?
The InChIKey is IANPWAOBLSVKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2,3)12-10-14(11-12)4-6-15(7-5-14)16-8-9-17-15/h12H,4-11H2,1-3H3.
What are the key properties of 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane?
2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane has a molecular weight of 238.37 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane is sourced from PubChem (CID 171768926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).