2,5-dioxaspiro[3.4]octane

C6H10O2 — CID 66660558

IUPAC2,5-dioxaspiro[3.4]octane
SMILESC1COC2(C1)COC2
InChIInChI=1S/C6H10O2/c1-2-6(8-3-1)4-7-5-6/h1-5H2
InChIKeyMTHDIUXCZLYTAK-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.57
Rot. Bonds

About 2,5-dioxaspiro[3.4]octane

2,5-dioxaspiro[3.4]octane (PubChem CID 66660558) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2,5-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name2,5-dioxaspiro[3.4]octane
PubChem CID66660558
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2,5-dioxaspiro[3.4]octane
SMILESC1COC2(C1)COC2
InChIInChI=1S/C6H10O2/c1-2-6(8-3-1)4-7-5-6/h1-5H2
InChIKeyMTHDIUXCZLYTAK-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxaspiro[3.4]octane?
The IUPAC name of 2,5-dioxaspiro[3.4]octane (CID 66660558) is 2,5-dioxaspiro[3.4]octane.
What is the SMILES notation for 2,5-dioxaspiro[3.4]octane?
The canonical SMILES for 2,5-dioxaspiro[3.4]octane is C1COC2(C1)COC2.
What is the InChIKey of 2,5-dioxaspiro[3.4]octane?
The InChIKey is MTHDIUXCZLYTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-6(8-3-1)4-7-5-6/h1-5H2.
What are the key properties of 2,5-dioxaspiro[3.4]octane?
2,5-dioxaspiro[3.4]octane has a molecular weight of 114.14 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxaspiro[3.4]octane is sourced from PubChem (CID 66660558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).