2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C12H16O3 — CID 70873259

IUPAC2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=C(C)C1=O)OC(C)C(C)O2
InChIInChI=1S/C12H16O3/c1-7-5-12(6-8(2)11(7)13)14-9(3)10(4)15-12/h5-6,9-10H,1-4H3
InChIKeyYAYKQEBPUIVEAB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.98
Rot. Bonds

About 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 70873259) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID70873259
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=C(C)C1=O)OC(C)C(C)O2
InChIInChI=1S/C12H16O3/c1-7-5-12(6-8(2)11(7)13)14-9(3)10(4)15-12/h5-6,9-10H,1-4H3
InChIKeyYAYKQEBPUIVEAB-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 70873259) is 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is CC1=CC2(C=C(C)C1=O)OC(C)C(C)O2.
What is the InChIKey of 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is YAYKQEBPUIVEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-7-5-12(6-8(2)11(7)13)14-9(3)10(4)15-12/h5-6,9-10H,1-4H3.
What are the key properties of 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 208.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,9-tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 70873259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).