3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane

C13H22O2 — CID 71344601

IUPAC3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane
SMILESC=CCC1OC(OCC)CC12CCCC2
InChIInChI=1S/C13H22O2/c1-3-7-11-13(8-5-6-9-13)10-12(15-11)14-4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyZKEAPRLJWAGXQH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.27
Rot. Bonds4

About 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane

3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane (PubChem CID 71344601) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane
PubChem CID71344601
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane
SMILESC=CCC1OC(OCC)CC12CCCC2
InChIInChI=1S/C13H22O2/c1-3-7-11-13(8-5-6-9-13)10-12(15-11)14-4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyZKEAPRLJWAGXQH-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane?
The IUPAC name of 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane (CID 71344601) is 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane.
What is the SMILES notation for 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane?
The canonical SMILES for 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane is C=CCC1OC(OCC)CC12CCCC2.
What is the InChIKey of 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane?
The InChIKey is ZKEAPRLJWAGXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-7-11-13(8-5-6-9-13)10-12(15-11)14-4-2/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane?
3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane has a molecular weight of 210.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-prop-2-enyl-2-oxaspiro[4.4]nonane is sourced from PubChem (CID 71344601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).