6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one

C12H18O3 — CID 11117312

IUPAC6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)C(C)C(C)(C)C12OCCO2
InChIInChI=1S/C12H18O3/c1-8-7-10(13)9(2)11(3,4)12(8)14-5-6-15-12/h7,9H,5-6H2,1-4H3
InChIKeyRUBOTNMBMSZESL-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.92
Rot. Bonds

About 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one

6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 11117312) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID11117312
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)C(C)C(C)(C)C12OCCO2
InChIInChI=1S/C12H18O3/c1-8-7-10(13)9(2)11(3,4)12(8)14-5-6-15-12/h7,9H,5-6H2,1-4H3
InChIKeyRUBOTNMBMSZESL-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (CID 11117312) is 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is CC1=CC(=O)C(C)C(C)(C)C12OCCO2.
What is the InChIKey of 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is RUBOTNMBMSZESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-7-10(13)9(2)11(3,4)12(8)14-5-6-15-12/h7,9H,5-6H2,1-4H3.
What are the key properties of 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one has a molecular weight of 210.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 11117312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).