2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane

C8H14O2 — CID 134986808

IUPAC2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane
SMILESCCC1C(C)C12OCCO2
InChIInChI=1S/C8H14O2/c1-3-7-6(2)8(7)9-4-5-10-8/h6-7H,3-5H2,1-2H3
InChIKeySWJCOQLHOLPEOV-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.41
Rot. Bonds1

About 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane

2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 134986808) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane
PubChem CID134986808
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane
SMILESCCC1C(C)C12OCCO2
InChIInChI=1S/C8H14O2/c1-3-7-6(2)8(7)9-4-5-10-8/h6-7H,3-5H2,1-2H3
InChIKeySWJCOQLHOLPEOV-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane (CID 134986808) is 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane is CCC1C(C)C12OCCO2.
What is the InChIKey of 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is SWJCOQLHOLPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7-6(2)8(7)9-4-5-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane?
2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 142.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 134986808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).