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

C12H18O3 — CID 14149173

IUPAC6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESCC(C)(C)C1CC(=O)C=CC12OCCO2
InChIInChI=1S/C12H18O3/c1-11(2,3)10-8-9(13)4-5-12(10)14-6-7-15-12/h4-5,10H,6-8H2,1-3H3
InChIKeyUWTVNVORNAOZFI-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.92
Rot. Bonds

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

6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 14149173) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID14149173
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESCC(C)(C)C1CC(=O)C=CC12OCCO2
InChIInChI=1S/C12H18O3/c1-11(2,3)10-8-9(13)4-5-12(10)14-6-7-15-12/h4-5,10H,6-8H2,1-3H3
InChIKeyUWTVNVORNAOZFI-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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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
2,2,3,3-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 141351515
(2S,3S)-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 21681548
(2R,3aS,7aR)-2-(2,2-dimethylpropyl)-7a-methyl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 102364650
t-Butyl-1-oxaspiro(4,5) deca-6,9-diene-2,8-dione
CID 129853779
2,2,6-Trimethyl-1-[2-(2-methyl-[1,3]dioxolan-2-yl)-vinyl]-7-oxa-bicyclo[4.1.0]hept-4-en-3-one
CID 5368082
6,6,7,10-Tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
CID 11117312
(5R,6R)-6-(1,3-dioxolan-2-yl)-5,6-dimethylcyclohex-2-en-1-one
CID 21608230
9-Methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 91701092
2,7,9,9-Tetramethyl-1,4-dioxaspiro[4,5]dec-6-en-8-one
CID 13209183
7,9-Dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 19594449

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of 6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (CID 14149173) is 6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is CC(C)(C)C1CC(=O)C=CC12OCCO2.
What is the InChIKey of 6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is UWTVNVORNAOZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-11(2,3)10-8-9(13)4-5-12(10)14-6-7-15-12/h4-5,10H,6-8H2,1-3H3.
What are the key properties of 6-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
6-tert-butyl-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-tert-butyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 14149173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).