8-ethyl-3-(methoxymethyl)spiro[4.4]nonane

C13H24O — CID 155331562

IUPAC8-ethyl-3-(methoxymethyl)spiro[4.4]nonane
SMILESCCC1CCC2(CCC(COC)C2)C1
InChIInChI=1S/C13H24O/c1-3-11-4-6-13(8-11)7-5-12(9-13)10-14-2/h11-12H,3-10H2,1-2H3
InChIKeyRZTJUDOIVGXTGU-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.63
Rot. Bonds3

About 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane

8-ethyl-3-(methoxymethyl)spiro[4.4]nonane (PubChem CID 155331562) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane.

Molecular Properties

Compound Name8-ethyl-3-(methoxymethyl)spiro[4.4]nonane
PubChem CID155331562
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name8-ethyl-3-(methoxymethyl)spiro[4.4]nonane
SMILESCCC1CCC2(CCC(COC)C2)C1
InChIInChI=1S/C13H24O/c1-3-11-4-6-13(8-11)7-5-12(9-13)10-14-2/h11-12H,3-10H2,1-2H3
InChIKeyRZTJUDOIVGXTGU-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane?
The IUPAC name of 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane (CID 155331562) is 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane.
What is the SMILES notation for 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane?
The canonical SMILES for 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane is CCC1CCC2(CCC(COC)C2)C1.
What is the InChIKey of 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane?
The InChIKey is RZTJUDOIVGXTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-11-4-6-13(8-11)7-5-12(9-13)10-14-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane?
8-ethyl-3-(methoxymethyl)spiro[4.4]nonane has a molecular weight of 196.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-(methoxymethyl)spiro[4.4]nonane is sourced from PubChem (CID 155331562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).