2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane

C13H22O2 — CID 10703678

IUPAC2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane
SMILESC=C1CCC(OCC)OC12CCCCC2
InChIInChI=1S/C13H22O2/c1-3-14-12-8-7-11(2)13(15-12)9-5-4-6-10-13/h12H,2-10H2,1H3
InChIKeyXENDYZBIUDZLKO-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds2

About 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane

2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane (PubChem CID 10703678) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane
PubChem CID10703678
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane
SMILESC=C1CCC(OCC)OC12CCCCC2
InChIInChI=1S/C13H22O2/c1-3-14-12-8-7-11(2)13(15-12)9-5-4-6-10-13/h12H,2-10H2,1H3
InChIKeyXENDYZBIUDZLKO-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Cyclohexylprop-2-enoxy)oxane
CID 54027830
2-(1-Methyl-4-methylene-cyclohexyloxy)-tetrahydro-pyran
CID 67035331
2-(1-Ethenylcyclohexyl)oxyoxane
CID 140985775
2-Methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane
CID 10933943
2-Methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane
CID 11020550
5-Methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane
CID 11127890
(2S,3S,6S)-2-methoxy-3-methyl-6-prop-1-en-2-yloxane
CID 11446581
5-Methylidene-1-oxaspiro[5.5]undecan-2-ol
CID 11769181
2,2-Dimethyl-3-methylidene-6-prop-2-enoxyoxane
CID 15399792
6-Ethyl-6-methyl-5-methylideneoxan-2-ol
CID 15399793
2-Ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane
CID 15399794
(2R)-2-(1-methyl-4-methylidenecyclohexyl)oxyoxane
CID 124564247

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane?
The IUPAC name of 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane (CID 10703678) is 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane?
The canonical SMILES for 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane is C=C1CCC(OCC)OC12CCCCC2.
What is the InChIKey of 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane?
The InChIKey is XENDYZBIUDZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-14-12-8-7-11(2)13(15-12)9-5-4-6-10-13/h12H,2-10H2,1H3.
What are the key properties of 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane?
2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methylidene-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 10703678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).