3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane

C12H20O4 — CID 69479887

IUPAC3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane
SMILESC=CCOCC1COC2(CCCCCO2)O1
InChIInChI=1S/C12H20O4/c1-2-7-13-9-11-10-15-12(16-11)6-4-3-5-8-14-12/h2,11H,1,3-10H2
InChIKeyWVOGSKIPPJBXRP-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.85
Rot. Bonds4

About 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane

3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane (PubChem CID 69479887) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane.

Molecular Properties

Compound Name3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane
PubChem CID69479887
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane
SMILESC=CCOCC1COC2(CCCCCO2)O1
InChIInChI=1S/C12H20O4/c1-2-7-13-9-11-10-15-12(16-11)6-4-3-5-8-14-12/h2,11H,1,3-10H2
InChIKeyWVOGSKIPPJBXRP-UHFFFAOYSA-N
XLogP1.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane?
The IUPAC name of 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane (CID 69479887) is 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane.
What is the SMILES notation for 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane?
The canonical SMILES for 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane is C=CCOCC1COC2(CCCCCO2)O1.
What is the InChIKey of 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane?
The InChIKey is WVOGSKIPPJBXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-7-13-9-11-10-15-12(16-11)6-4-3-5-8-14-12/h2,11H,1,3-10H2.
What are the key properties of 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane?
3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane has a molecular weight of 228.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxymethyl)-1,4,11-trioxaspiro[4.6]undecane is sourced from PubChem (CID 69479887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).