1,2,3-trioxaspiro[4.4]nonane

C6H10O3 — CID 19938651

IUPAC1,2,3-trioxaspiro[4.4]nonane
SMILESC1CCC2(C1)COOO2
InChIInChI=1S/C6H10O3/c1-2-4-6(3-1)5-7-9-8-6/h1-5H2
InChIKeyZJOYXBHAANIZGO-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.19
Rot. Bonds

About 1,2,3-trioxaspiro[4.4]nonane

1,2,3-trioxaspiro[4.4]nonane (PubChem CID 19938651) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 1,2,3-trioxaspiro[4.4]nonane.

Molecular Properties

Compound Name1,2,3-trioxaspiro[4.4]nonane
PubChem CID19938651
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name1,2,3-trioxaspiro[4.4]nonane
SMILESC1CCC2(C1)COOO2
InChIInChI=1S/C6H10O3/c1-2-4-6(3-1)5-7-9-8-6/h1-5H2
InChIKeyZJOYXBHAANIZGO-UHFFFAOYSA-N
XLogP1.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trioxaspiro[4.4]nonane?
The IUPAC name of 1,2,3-trioxaspiro[4.4]nonane (CID 19938651) is 1,2,3-trioxaspiro[4.4]nonane.
What is the SMILES notation for 1,2,3-trioxaspiro[4.4]nonane?
The canonical SMILES for 1,2,3-trioxaspiro[4.4]nonane is C1CCC2(C1)COOO2.
What is the InChIKey of 1,2,3-trioxaspiro[4.4]nonane?
The InChIKey is ZJOYXBHAANIZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-4-6(3-1)5-7-9-8-6/h1-5H2.
What are the key properties of 1,2,3-trioxaspiro[4.4]nonane?
1,2,3-trioxaspiro[4.4]nonane has a molecular weight of 130.14 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trioxaspiro[4.4]nonane is sourced from PubChem (CID 19938651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).