4,5-dimethyl-1,6-dioxaspiro[2.5]octane

C8H14O2 — CID 76733277

IUPAC4,5-dimethyl-1,6-dioxaspiro[2.5]octane
SMILESCC1OCCC2(CO2)C1C
InChIInChI=1S/C8H14O2/c1-6-7(2)9-4-3-8(6)5-10-8/h6-7H,3-5H2,1-2H3
InChIKeyZYTKRHKGVBFDHD-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds

About 4,5-dimethyl-1,6-dioxaspiro[2.5]octane

4,5-dimethyl-1,6-dioxaspiro[2.5]octane (PubChem CID 76733277) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,5-dimethyl-1,6-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name4,5-dimethyl-1,6-dioxaspiro[2.5]octane
PubChem CID76733277
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4,5-dimethyl-1,6-dioxaspiro[2.5]octane
SMILESCC1OCCC2(CO2)C1C
InChIInChI=1S/C8H14O2/c1-6-7(2)9-4-3-8(6)5-10-8/h6-7H,3-5H2,1-2H3
InChIKeyZYTKRHKGVBFDHD-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.20
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 4,5-dimethyl-1,6-dioxaspiro[2.5]octane?
The IUPAC name of 4,5-dimethyl-1,6-dioxaspiro[2.5]octane (CID 76733277) is 4,5-dimethyl-1,6-dioxaspiro[2.5]octane.
What is the SMILES notation for 4,5-dimethyl-1,6-dioxaspiro[2.5]octane?
The canonical SMILES for 4,5-dimethyl-1,6-dioxaspiro[2.5]octane is CC1OCCC2(CO2)C1C.
What is the InChIKey of 4,5-dimethyl-1,6-dioxaspiro[2.5]octane?
The InChIKey is ZYTKRHKGVBFDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-7(2)9-4-3-8(6)5-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,6-dioxaspiro[2.5]octane?
4,5-dimethyl-1,6-dioxaspiro[2.5]octane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,6-dioxaspiro[2.5]octane is sourced from PubChem (CID 76733277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).