2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol

C13H19F3O3 — CID 141351516

IUPAC2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCC1(C)OC2(C=CC(O)C(C(F)(F)F)C2)OC1(C)C
InChIInChI=1S/C13H19F3O3/c1-10(2)11(3,4)19-12(18-10)6-5-9(17)8(7-12)13(14,15)16/h5-6,8-9,17H,7H2,1-4H3
InChIKeyWAFFLHICSCPOMJ-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.79
Rot. Bonds

About 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol

2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 141351516) has the molecular formula C13H19F3O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID141351516
Molecular FormulaC13H19F3O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCC1(C)OC2(C=CC(O)C(C(F)(F)F)C2)OC1(C)C
InChIInChI=1S/C13H19F3O3/c1-10(2)11(3,4)19-12(18-10)6-5-9(17)8(7-12)13(14,15)16/h5-6,8-9,17H,7H2,1-4H3
InChIKeyWAFFLHICSCPOMJ-UHFFFAOYSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(5-Hydroxy-3-methylpenta-1,3-dienyl)-7,9-dimethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 53721116
2,3,7,9-tetramethyl-8-[(E)-2-(tributylstannyl)vinyl]-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 70873452
2,3,7,9-Tetramethyl-8-(2-tributylstannylethenyl)-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 77935707
(2S)-2-(difluoromethyl)-2-[(4R,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]butan-1-ol
CID 118019522
7-(difluoromethyl)-8-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 141812956
(5R,7R)-6,6-difluoro-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-9-en-7-ol
CID 11401736
(8R,9S)-8-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-7,9-dimethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 100938583
(8R,9R)-8-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-7,9-dimethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 100938584
[(1S,2S,3R,4R)-3-(difluoromethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 131097726
2,3,7,9-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 154492158
(8R)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 57734280
(3aS,4R,7aR)-2,2,4-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol
CID 89228495

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol (CID 141351516) is 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol is CC1(C)OC2(C=CC(O)C(C(F)(F)F)C2)OC1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is WAFFLHICSCPOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O3/c1-10(2)11(3,4)19-12(18-10)6-5-9(17)8(7-12)13(14,15)16/h5-6,8-9,17H,7H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 280.29 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 141351516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).