3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane

C11H18O3 — CID 143254368

IUPAC3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane
SMILESC=CC1COC2(CCC(C)CC2)OO1
InChIInChI=1S/C11H18O3/c1-3-10-8-12-11(14-13-10)6-4-9(2)5-7-11/h3,9-10H,1,4-8H2,2H3
InChIKeyXHFNOWQDFGVJDO-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.43
Rot. Bonds1

About 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane

3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane (PubChem CID 143254368) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane
PubChem CID143254368
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane
SMILESC=CC1COC2(CCC(C)CC2)OO1
InChIInChI=1S/C11H18O3/c1-3-10-8-12-11(14-13-10)6-4-9(2)5-7-11/h3,9-10H,1,4-8H2,2H3
InChIKeyXHFNOWQDFGVJDO-UHFFFAOYSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-1,4,8-trioxaspiro[4.5]decane
CID 143310490
1-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-prop-2-enylurea
CID 97337864
(9S,10R)-10-bromo-9-methyl-7,8,12-trioxaspiro[5.6]dodecane
CID 10778065
(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
CID 55263052
4-ethenyl-1,3-dioxolane-2,2-dithiol
CID 150124062
9-methyl-3-phenyl-1,2,4,5-tetraoxaspiro[5.5]undecane
CID 11161025
3-[2-(4-cyclohexylphenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 173241216
3-[2-(4-cyclooctylphenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 131737661
2-ethenyl-5-(4-methylcyclohexyl)oxane
CID 143210182
methyl 9-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxylate
CID 10466322
(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine
CID 82777122
3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
CID 122210381

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane?
The IUPAC name of 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane (CID 143254368) is 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane.
What is the SMILES notation for 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane?
The canonical SMILES for 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane is C=CC1COC2(CCC(C)CC2)OO1.
What is the InChIKey of 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane?
The InChIKey is XHFNOWQDFGVJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-10-8-12-11(14-13-10)6-4-9(2)5-7-11/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane?
3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane has a molecular weight of 198.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane is sourced from PubChem (CID 143254368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).