1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane

C11H18O4 — CID 142651675

IUPAC1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane
SMILESC1CCC2(CC1)CCC1(CC2)OOOO1
InChIInChI=1S/C11H18O4/c1-2-4-10(5-3-1)6-8-11(9-7-10)12-14-15-13-11/h1-9H2
InChIKeyWZYFKJMORQUFOF-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.03
Rot. Bonds

About 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane

1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane (PubChem CID 142651675) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane.

Molecular Properties

Compound Name1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane
PubChem CID142651675
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane
SMILESC1CCC2(CC1)CCC1(CC2)OOOO1
InChIInChI=1S/C11H18O4/c1-2-4-10(5-3-1)6-8-11(9-7-10)12-14-15-13-11/h1-9H2
InChIKeyWZYFKJMORQUFOF-UHFFFAOYSA-N
XLogP3.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

spiro[2.7]decane
CID 12657449
spiro[2.6]nonane;hydrochloride
CID 141316852
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
spiro[4.4]nonane
CID 90780660
8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
spiro[4.4]nonane;dihydrochloride
CID 172764572
7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane
CID 24939149
dispiro[2.1.45.23]undecane
CID 123654868
spiro[4.7]dodec-2-ene
CID 173458049
2-azoniaspiro[3.5]nonane
CID 28901654

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane?
The IUPAC name of 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane (CID 142651675) is 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane.
What is the SMILES notation for 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane?
The canonical SMILES for 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane is C1CCC2(CC1)CCC1(CC2)OOOO1.
What is the InChIKey of 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane?
The InChIKey is WZYFKJMORQUFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-4-10(5-3-1)6-8-11(9-7-10)12-14-15-13-11/h1-9H2.
What are the key properties of 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane?
1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane has a molecular weight of 214.26 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraoxadispiro[4.2.58.25]pentadecane is sourced from PubChem (CID 142651675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).