7-ethyl-2,5,9-trioxaspiro[3.5]nonane

C8H14O3 — CID 89076501

IUPAC7-ethyl-2,5,9-trioxaspiro[3.5]nonane
SMILESCCC1COC2(COC2)OC1
InChIInChI=1S/C8H14O3/c1-2-7-3-10-8(11-4-7)5-9-6-8/h7H,2-6H2,1H3
InChIKeyDRTQWNTXTOWEMJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.79
Rot. Bonds1

About 7-ethyl-2,5,9-trioxaspiro[3.5]nonane

7-ethyl-2,5,9-trioxaspiro[3.5]nonane (PubChem CID 89076501) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 7-ethyl-2,5,9-trioxaspiro[3.5]nonane.

Molecular Properties

Compound Name7-ethyl-2,5,9-trioxaspiro[3.5]nonane
PubChem CID89076501
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name7-ethyl-2,5,9-trioxaspiro[3.5]nonane
SMILESCCC1COC2(COC2)OC1
InChIInChI=1S/C8H14O3/c1-2-7-3-10-8(11-4-7)5-9-6-8/h7H,2-6H2,1H3
InChIKeyDRTQWNTXTOWEMJ-UHFFFAOYSA-N
XLogP0.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,5,9-trioxaspiro[3.5]nonane?
The IUPAC name of 7-ethyl-2,5,9-trioxaspiro[3.5]nonane (CID 89076501) is 7-ethyl-2,5,9-trioxaspiro[3.5]nonane.
What is the SMILES notation for 7-ethyl-2,5,9-trioxaspiro[3.5]nonane?
The canonical SMILES for 7-ethyl-2,5,9-trioxaspiro[3.5]nonane is CCC1COC2(COC2)OC1.
What is the InChIKey of 7-ethyl-2,5,9-trioxaspiro[3.5]nonane?
The InChIKey is DRTQWNTXTOWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-7-3-10-8(11-4-7)5-9-6-8/h7H,2-6H2,1H3.
What are the key properties of 7-ethyl-2,5,9-trioxaspiro[3.5]nonane?
7-ethyl-2,5,9-trioxaspiro[3.5]nonane has a molecular weight of 158.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,5,9-trioxaspiro[3.5]nonane is sourced from PubChem (CID 89076501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).