2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane

C12H20O2 — CID 14214422

IUPAC2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane
SMILESC=CCC1CCCC2(CCCCO2)O1
InChIInChI=1S/C12H20O2/c1-2-6-11-7-5-9-12(14-11)8-3-4-10-13-12/h2,11H,1,3-10H2
InChIKeyINMYZGWIARTQHV-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds2

About 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane

2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 14214422) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane
PubChem CID14214422
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane
SMILESC=CCC1CCCC2(CCCCO2)O1
InChIInChI=1S/C12H20O2/c1-2-6-11-7-5-9-12(14-11)8-3-4-10-13-12/h2,11H,1,3-10H2
InChIKeyINMYZGWIARTQHV-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

1,7-Dioxaspiro[5.5]undec-2-ene
CID 566601
(4R,6S)-2,2-dimethyl-4-pentyl-6-prop-2-enyl-1,3-dioxane
CID 54576110
2,8-Bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
(4S,6R)-4-hexyl-2,2-dimethyl-6-prop-2-enyl-1,3-dioxane
CID 134905780
(2R,6R)-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 134958873
(2R,6R)-2-ethenyl-1,12-dioxaspiro[5.6]dodecane
CID 134968331
(8R,10R)-10-ethenyl-5,7,9-trioxadispiro[5.1.58.36]hexadecane
CID 134968346
(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane
CID 134986577
2-Ethenyl-1,7-dioxaspiro[5.5]undecane
CID 154714568
(2S,6S,8R)-2-but-3-enyl-8-butyl-1,7-dioxaspiro[5.5]undecane
CID 59456475
2-[(2S)-non-8-en-2-yl]oxyoxane
CID 68012127
2-[(2R)-non-8-en-2-yl]oxyoxane
CID 68012130

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane (CID 14214422) is 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane is C=CCC1CCCC2(CCCCO2)O1.
What is the InChIKey of 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is INMYZGWIARTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-6-11-7-5-9-12(14-11)8-3-4-10-13-12/h2,11H,1,3-10H2.
What are the key properties of 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane?
2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 14214422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).