9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane

C13H22O2 — CID 21305154

IUPAC9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
SMILESCC=C1CCC2(CC1)OCC(C)(C)CO2
InChIInChI=1S/C13H22O2/c1-4-11-5-7-13(8-6-11)14-9-12(2,3)10-15-13/h4H,5-10H2,1-3H3
InChIKeySRGRIHJBLBEMBT-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds

About 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane

9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane (PubChem CID 21305154) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
PubChem CID21305154
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
SMILESCC=C1CCC2(CC1)OCC(C)(C)CO2
InChIInChI=1S/C13H22O2/c1-4-11-5-7-13(8-6-11)14-9-12(2,3)10-15-13/h4H,5-10H2,1-3H3
InChIKeySRGRIHJBLBEMBT-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
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 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane?
The IUPAC name of 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane (CID 21305154) is 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane.
What is the SMILES notation for 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane?
The canonical SMILES for 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane is CC=C1CCC2(CC1)OCC(C)(C)CO2.
What is the InChIKey of 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane?
The InChIKey is SRGRIHJBLBEMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-11-5-7-13(8-6-11)14-9-12(2,3)10-15-13/h4H,5-10H2,1-3H3.
What are the key properties of 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane?
9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane is sourced from PubChem (CID 21305154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).