6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

C11H16O3 — CID 139606262

IUPAC6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1=CC(=O)C(C)(C)CC12OCCO2
InChIInChI=1S/C11H16O3/c1-8-6-9(12)10(2,3)7-11(8)13-4-5-14-11/h6H,4-5,7H2,1-3H3
InChIKeyQQOLECKFEASEOZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds

About 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 139606262) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID139606262
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1=CC(=O)C(C)(C)CC12OCCO2
InChIInChI=1S/C11H16O3/c1-8-6-9(12)10(2,3)7-11(8)13-4-5-14-11/h6H,4-5,7H2,1-3H3
InChIKeyQQOLECKFEASEOZ-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.5]dec-6-en-8-one, 7,9,9-trimethyl-
CID 11769425
3,5,5-Trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-one
CID 70371890
3,5-Dimethyl-5-trifluoromethyl-1,1-ethylenedioxy-2-cyclohexen-4-one
CID 11831832
2,3,7,9-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 70873417
2,4,4-Trimethyl-3-[2-(2-methyl-[1,3]dioxolan-2-yl)-vinyl]-cyclohex-2-enone
CID 5376816
(2S,3S)-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 21681548
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
CID 130025959
(7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-6,7-dihydroindene]-1'-one
CID 134969349
(2R,3aS,7aR)-3a,7,7a-trimethyl-2-propan-2-yl-4H-1,3-benzodioxol-5-one
CID 135041990
7,9-Ditert-butyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 166449292
7-(Difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 71343758
4-[1,3]Dioxolan-2-yl-3,4-dimethyl-cyclohex-2-enone
CID 552123

Frequently Asked Questions

What is the IUPAC name of 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (CID 139606262) is 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is CC1=CC(=O)C(C)(C)CC12OCCO2.
What is the InChIKey of 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is QQOLECKFEASEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-6-9(12)10(2,3)7-11(8)13-4-5-14-11/h6H,4-5,7H2,1-3H3.
What are the key properties of 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 196.25 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 139606262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).