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

C12H20O2 — CID 89284204

IUPAC3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
SMILESC=CC1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C12H20O2/c1-4-10-5-6-12(7-10)13-8-11(2,3)9-14-12/h4,10H,1,5-9H2,2-3H3
InChIKeyJAFSAKFVTWDYOF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds1

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

3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane (PubChem CID 89284204) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
PubChem CID89284204
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
SMILESC=CC1CCC2(C1)OCC(C)(C)CO2
InChIInChI=1S/C12H20O2/c1-4-10-5-6-12(7-10)13-8-11(2,3)9-14-12/h4,10H,1,5-9H2,2-3H3
InChIKeyJAFSAKFVTWDYOF-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane?
The IUPAC name of 3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane (CID 89284204) is 3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane.
What is the SMILES notation for 3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane?
The canonical SMILES for 3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane is C=CC1CCC2(C1)OCC(C)(C)CO2.
What is the InChIKey of 3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane?
The InChIKey is JAFSAKFVTWDYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-10-5-6-12(7-10)13-8-11(2,3)9-14-12/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane?
3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane is sourced from PubChem (CID 89284204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).