3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane

C12H18O4 — CID 142899266

IUPAC3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane
SMILESC=CC1COCC2(CO1)COC(C=C)OC2
InChIInChI=1S/C12H18O4/c1-3-10-5-13-6-12(7-14-10)8-15-11(4-2)16-9-12/h3-4,10-11H,1-2,5-9H2
InChIKeyPYXIPJIAQOSKGR-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.13
Rot. Bonds2

About 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane

3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane (PubChem CID 142899266) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane.

Molecular Properties

Compound Name3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane
PubChem CID142899266
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane
SMILESC=CC1COCC2(CO1)COC(C=C)OC2
InChIInChI=1S/C12H18O4/c1-3-10-5-13-6-12(7-14-10)8-15-11(4-2)16-9-12/h3-4,10-11H,1-2,5-9H2
InChIKeyPYXIPJIAQOSKGR-UHFFFAOYSA-N
XLogP1.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,9-bis(ethenyl)-2,4,8-trioxaspiro[5.5]undecane
CID 66977373
3,9-bis(ethenyl)-2,4-dioxaspiro[5.5]undecane
CID 66977326
2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 58827418
(5-carboxyoxy-2-ethenyl-1,3-dioxan-5-yl) hydrogen carbonate
CID 67911907
5-ethenyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
CID 123259415
2-ethenyl-5-propan-2-yl-1,3-dioxane
CID 89076510
4-ethenyl-1,3-dioxolane-2,2-dithiol
CID 150124062
6,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 130068068
4-ethenyl-2-methylidene-1,3-dioxolane
CID 15728276
2-buta-1,3-dienyloxirane
CID 54285331
oxirane-2-carbaldehyde;silane
CID 173157957
2-methyloxirane;bis(prop-1-ene)
CID 157154960

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane?
The IUPAC name of 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane (CID 142899266) is 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane.
What is the SMILES notation for 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane?
The canonical SMILES for 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane is C=CC1COCC2(CO1)COC(C=C)OC2.
What is the InChIKey of 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane?
The InChIKey is PYXIPJIAQOSKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-10-5-13-6-12(7-14-10)8-15-11(4-2)16-9-12/h3-4,10-11H,1-2,5-9H2.
What are the key properties of 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane?
3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane has a molecular weight of 226.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(ethenyl)-2,4,8,11-tetraoxaspiro[5.6]dodecane is sourced from PubChem (CID 142899266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).