(2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane

C13H22O2 — CID 134968451

IUPAC(2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane
SMILESC=C[C@H]1CCC[C@@]2(CCC(C)(C)CO2)O1
InChIInChI=1S/C13H22O2/c1-4-11-6-5-7-13(15-11)9-8-12(2,3)10-14-13/h4,11H,1,5-10H2,2-3H3/t11-,13-/m0/s1
InChIKeyQFSGJNXFJWWOMT-AAEUAGOBSA-N
MW210.32 g/mol
LogP3.27
Rot. Bonds1

About (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane

(2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 134968451) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane
PubChem CID134968451
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane
SMILESC=C[C@H]1CCC[C@@]2(CCC(C)(C)CO2)O1
InChIInChI=1S/C13H22O2/c1-4-11-6-5-7-13(15-11)9-8-12(2,3)10-14-13/h4,11H,1,5-10H2,2-3H3/t11-,13-/m0/s1
InChIKeyQFSGJNXFJWWOMT-AAEUAGOBSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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'}

Analyze (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-Bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
(2R,6R)-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 134958873
(8R,10R)-10-ethenyl-5,7,9-trioxadispiro[5.1.58.36]hexadecane
CID 134968346
(2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol
CID 135046091
2-Ethenyl-1,7-dioxaspiro[5.5]undecane
CID 154714568
(5R,9R)-9-tert-butyl-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 21608037
(2R,6S,8S)-2-butyl-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecane
CID 59456473
3,9-Bis(ethenyl)-2,4,8-trioxaspiro[5.5]undecane
CID 66977373
(2R,6S)-2-methoxy-2-(2-methylbutan-2-yl)-6-prop-2-enyloxane
CID 89568453
(2R,6S)-2-methoxy-2-(2-methyl-1-sulfanyloxypropan-2-yl)-6-prop-2-enyloxane
CID 89570608
4-[[6-[[2,2-Dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane
CID 123432558
2-(4,4-Dimethyloct-1-en-3-yloxy)oxane
CID 139643960

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane (CID 134968451) is (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane is C=C[C@H]1CCC[C@@]2(CCC(C)(C)CO2)O1.
What is the InChIKey of (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is QFSGJNXFJWWOMT-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-11-6-5-7-13(15-11)9-8-12(2,3)10-14-13/h4,11H,1,5-10H2,2-3H3/t11-,13-/m0/s1.
What are the key properties of (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane?
(2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 210.32 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-ethenyl-9,9-dimethyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 134968451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).