2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

C12H18O3 — CID 59194205

IUPAC2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)OC2(C=CC(=O)CC2)OC1(C)C
InChIInChI=1S/C12H18O3/c1-10(2)11(3,4)15-12(14-10)7-5-9(13)6-8-12/h5,7H,6,8H2,1-4H3
InChIKeyYAYAXUVJKUHTJO-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.21
Rot. Bonds

About 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 59194205) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID59194205
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)OC2(C=CC(=O)CC2)OC1(C)C
InChIInChI=1S/C12H18O3/c1-10(2)11(3,4)15-12(14-10)7-5-9(13)6-8-12/h5,7H,6,8H2,1-4H3
InChIKeyYAYAXUVJKUHTJO-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.5]dec-6-en-8-one
CID 11008131
2,2,3,3-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 141351515
(3aS,7aR)-2,2,7a-trimethyl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 135023804
9-Methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 91701092
9,9-Dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 57734300
(5R)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one
CID 10866969
(5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one
CID 10877758
6-Tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
CID 14149173
2,2-Dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one
CID 85294985
6-Ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
CID 101052018
(4'aR,8'S,8'aS)-8'-methylspiro[1,3-dioxolane-2,4'-4a,5,8,8a-tetrahydronaphthalene]-1'-one
CID 101120537
2,2,3,3-Tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 101202244

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (CID 59194205) is 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is CC1(C)OC2(C=CC(=O)CC2)OC1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is YAYAXUVJKUHTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(2)11(3,4)15-12(14-10)7-5-9(13)6-8-12/h5,7H,6,8H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 210.27 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 59194205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).