1,2-dioxaspiro[3.4]octane

C6H10O2 — CID 86255648

IUPAC1,2-dioxaspiro[3.4]octane
SMILESC1CCC2(C1)COO2
InChIInChI=1S/C6H10O2/c1-2-4-6(3-1)5-7-8-6/h1-5H2
InChIKeyZKQHGUZNSCKIMX-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.26
Rot. Bonds

About 1,2-dioxaspiro[3.4]octane

1,2-dioxaspiro[3.4]octane (PubChem CID 86255648) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1,2-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name1,2-dioxaspiro[3.4]octane
PubChem CID86255648
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1,2-dioxaspiro[3.4]octane
SMILESC1CCC2(C1)COO2
InChIInChI=1S/C6H10O2/c1-2-4-6(3-1)5-7-8-6/h1-5H2
InChIKeyZKQHGUZNSCKIMX-UHFFFAOYSA-N
XLogP1.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Trioxaspiro[4.4]nonane
CID 19938651
3-Ethyl-3-propyldioxetane
CID 174276293
3-Butyl-3-methyl-1,2-dioxetane
CID 71413611

Frequently Asked Questions

What is the IUPAC name of 1,2-dioxaspiro[3.4]octane?
The IUPAC name of 1,2-dioxaspiro[3.4]octane (CID 86255648) is 1,2-dioxaspiro[3.4]octane.
What is the SMILES notation for 1,2-dioxaspiro[3.4]octane?
The canonical SMILES for 1,2-dioxaspiro[3.4]octane is C1CCC2(C1)COO2.
What is the InChIKey of 1,2-dioxaspiro[3.4]octane?
The InChIKey is ZKQHGUZNSCKIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-4-6(3-1)5-7-8-6/h1-5H2.
What are the key properties of 1,2-dioxaspiro[3.4]octane?
1,2-dioxaspiro[3.4]octane has a molecular weight of 114.14 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxaspiro[3.4]octane is sourced from PubChem (CID 86255648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).