8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene

C13H22O2 — CID 152534227

IUPAC8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene
SMILESCCC1=C(C)CC2(CC1(C)C)OCCO2
InChIInChI=1S/C13H22O2/c1-5-11-10(2)8-13(9-12(11,3)4)14-6-7-15-13/h5-9H2,1-4H3
InChIKeyYKDZGCLQGNJVIA-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds1

About 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene

8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene (PubChem CID 152534227) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene.

Molecular Properties

Compound Name8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene
PubChem CID152534227
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene
SMILESCCC1=C(C)CC2(CC1(C)C)OCCO2
InChIInChI=1S/C13H22O2/c1-5-11-10(2)8-13(9-12(11,3)4)14-6-7-15-13/h5-9H2,1-4H3
InChIKeyYKDZGCLQGNJVIA-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene?
The IUPAC name of 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene (CID 152534227) is 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene.
What is the SMILES notation for 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene?
The canonical SMILES for 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene is CCC1=C(C)CC2(CC1(C)C)OCCO2.
What is the InChIKey of 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene?
The InChIKey is YKDZGCLQGNJVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-11-10(2)8-13(9-12(11,3)4)14-6-7-15-13/h5-9H2,1-4H3.
What are the key properties of 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene?
8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene has a molecular weight of 210.32 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-ene is sourced from PubChem (CID 152534227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).