3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane

C13H22O2 — CID 89148660

IUPAC3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane
SMILESC=CC1(C)CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C13H22O2/c1-5-12(4)6-7-13(8-12)14-9-11(2,3)10-15-13/h5H,1,6-10H2,2-4H3
InChIKeyMYKLCLVZAXNXQX-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.13
Rot. Bonds1

About 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane

3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane (PubChem CID 89148660) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane
PubChem CID89148660
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane
SMILESC=CC1(C)CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C13H22O2/c1-5-12(4)6-7-13(8-12)14-9-11(2,3)10-15-13/h5H,1,6-10H2,2-4H3
InChIKeyMYKLCLVZAXNXQX-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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

5,5-Diallyl-2,2-dimethyl-1,3-dioxane
CID 10932381
(4S)-2,2-dimethyl-4-(2-methylbut-3-en-2-yl)-1,3-dioxane
CID 54042978
(4R)-2,2-dimethyl-4-(2-methylbut-3-en-2-yl)-1,3-dioxane
CID 134936658
6,15-Dioxadispiro[4.2.58.25]pentadec-11-ene
CID 20307641
4-(1,1-Dimethyl-allyl)-2,2-dimethyl-[1,3]dioxane
CID 22121316
2,2-Diethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 67259310
3-Ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
CID 89284204
2,2-Dimethyl-5-(2-methylhexa-4,5-dien-3-yl)-5-prop-2-enyl-1,3-dioxane
CID 11345713
2,2-Dimethyl-5-(2-methylprop-2-enyl)-5-prop-2-enyl-1,3-dioxane
CID 85675410
5-But-3-enyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 85855031
(2S,3S)-3-ethenyl-2,3,8,8-tetramethyl-6,10-dioxaspiro[4.5]decane
CID 101234482

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane?
The IUPAC name of 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane (CID 89148660) is 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane.
What is the SMILES notation for 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane?
The canonical SMILES for 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane is C=CC1(C)CCC2(C1)OCC(C)(C)CO2.
What is the InChIKey of 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane?
The InChIKey is MYKLCLVZAXNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-12(4)6-7-13(8-12)14-9-11(2,3)10-15-13/h5H,1,6-10H2,2-4H3.
What are the key properties of 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane?
3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane has a molecular weight of 210.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,8,8-trimethyl-6,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 89148660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).