3-ethoxy-1-oxaspiro[3.5]nonane

C10H18O2 — CID 154091259

IUPAC3-ethoxy-1-oxaspiro[3.5]nonane
SMILESCCOC1COC12CCCCC2
InChIInChI=1S/C10H18O2/c1-2-11-9-8-12-10(9)6-4-3-5-7-10/h9H,2-8H2,1H3
InChIKeyVHENTOCHZLDXTE-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.12
Rot. Bonds2

About 3-ethoxy-1-oxaspiro[3.5]nonane

3-ethoxy-1-oxaspiro[3.5]nonane (PubChem CID 154091259) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethoxy-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name3-ethoxy-1-oxaspiro[3.5]nonane
PubChem CID154091259
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethoxy-1-oxaspiro[3.5]nonane
SMILESCCOC1COC12CCCCC2
InChIInChI=1S/C10H18O2/c1-2-11-9-8-12-10(9)6-4-3-5-7-10/h9H,2-8H2,1H3
InChIKeyVHENTOCHZLDXTE-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-oxaspiro[3.5]nonane?
The IUPAC name of 3-ethoxy-1-oxaspiro[3.5]nonane (CID 154091259) is 3-ethoxy-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 3-ethoxy-1-oxaspiro[3.5]nonane?
The canonical SMILES for 3-ethoxy-1-oxaspiro[3.5]nonane is CCOC1COC12CCCCC2.
What is the InChIKey of 3-ethoxy-1-oxaspiro[3.5]nonane?
The InChIKey is VHENTOCHZLDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-11-9-8-12-10(9)6-4-3-5-7-10/h9H,2-8H2,1H3.
What are the key properties of 3-ethoxy-1-oxaspiro[3.5]nonane?
3-ethoxy-1-oxaspiro[3.5]nonane has a molecular weight of 170.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 154091259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).