(2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane

C12H20O2 — CID 134968331

IUPAC(2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane
SMILESC=C[C@H]1CCC[C@@]2(CCCCCO2)O1
InChIInChI=1S/C12H20O2/c1-2-11-7-6-9-12(14-11)8-4-3-5-10-13-12/h2,11H,1,3-10H2/t11-,12+/m0/s1
InChIKeyZOGGHJPOVDILIB-NWDGAFQWSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds1

About (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane

(2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane (PubChem CID 134968331) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane.

Molecular Properties

Compound Name(2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane
PubChem CID134968331
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane
SMILESC=C[C@H]1CCC[C@@]2(CCCCCO2)O1
InChIInChI=1S/C12H20O2/c1-2-11-7-6-9-12(14-11)8-4-3-5-10-13-12/h2,11H,1,3-10H2/t11-,12+/m0/s1
InChIKeyZOGGHJPOVDILIB-NWDGAFQWSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
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-Oct-1-en-3-yloxyoxane
CID 10727282
2-Allyl-1,7-dioxaspiro[5.5]undecane
CID 14214422
(1R,5S,7S)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
CID 101668541
2,8-Bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
(2R,6R)-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 134958873
(5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane
CID 134968336
(8R,10R)-10-ethenyl-5,7,9-trioxadispiro[5.1.58.36]hexadecane
CID 134968346
(2R,5R)-2-ethenyl-1,10-dioxaspiro[4.5]decane
CID 134968390
(7R)-7-ethenyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
CID 135023786
2-Ethenyl-1,7-dioxaspiro[5.5]undecane
CID 154714568
(4R,6R)-4-ethenyl-6-hexyl-2,2-dimethyl-1,3-dioxane
CID 10922227
(4S,6R)-4-ethenyl-6-hexyl-2,2-dimethyl-1,3-dioxane
CID 11020602

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane?
The IUPAC name of (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane (CID 134968331) is (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane.
What is the SMILES notation for (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane?
The canonical SMILES for (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane is C=C[C@H]1CCC[C@@]2(CCCCCO2)O1.
What is the InChIKey of (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane?
The InChIKey is ZOGGHJPOVDILIB-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-11-7-6-9-12(14-11)8-4-3-5-10-13-12/h2,11H,1,3-10H2/t11-,12+/m0/s1.
What are the key properties of (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane?
(2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane is sourced from PubChem (CID 134968331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).