4-methyl-1,5-dioxaspiro[2.3]hexane

C5H8O2 — CID 23325229

IUPAC4-methyl-1,5-dioxaspiro[2.3]hexane
SMILESCC1OCC12CO2
InChIInChI=1S/C5H8O2/c1-4-5(2-6-4)3-7-5/h4H,2-3H2,1H3
InChIKeyUFXFAKXBMXJTQF-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.17
Rot. Bonds

About 4-methyl-1,5-dioxaspiro[2.3]hexane

4-methyl-1,5-dioxaspiro[2.3]hexane (PubChem CID 23325229) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 4-methyl-1,5-dioxaspiro[2.3]hexane.

Molecular Properties

Compound Name4-methyl-1,5-dioxaspiro[2.3]hexane
PubChem CID23325229
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name4-methyl-1,5-dioxaspiro[2.3]hexane
SMILESCC1OCC12CO2
InChIInChI=1S/C5H8O2/c1-4-5(2-6-4)3-7-5/h4H,2-3H2,1H3
InChIKeyUFXFAKXBMXJTQF-UHFFFAOYSA-N
XLogP0.17
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,5-dioxaspiro[2.3]hexane?
The IUPAC name of 4-methyl-1,5-dioxaspiro[2.3]hexane (CID 23325229) is 4-methyl-1,5-dioxaspiro[2.3]hexane.
What is the SMILES notation for 4-methyl-1,5-dioxaspiro[2.3]hexane?
The canonical SMILES for 4-methyl-1,5-dioxaspiro[2.3]hexane is CC1OCC12CO2.
What is the InChIKey of 4-methyl-1,5-dioxaspiro[2.3]hexane?
The InChIKey is UFXFAKXBMXJTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-5(2-6-4)3-7-5/h4H,2-3H2,1H3.
What are the key properties of 4-methyl-1,5-dioxaspiro[2.3]hexane?
4-methyl-1,5-dioxaspiro[2.3]hexane has a molecular weight of 100.12 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,5-dioxaspiro[2.3]hexane is sourced from PubChem (CID 23325229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).