3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one

C11H16O3 — CID 162419744

IUPAC3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
SMILESCC1(C)OCC2(CC=CC(=O)C2)CO1
InChIInChI=1S/C11H16O3/c1-10(2)13-7-11(8-14-10)5-3-4-9(12)6-11/h3-4H,5-8H2,1-2H3
InChIKeyPARHKCNZIPUHMA-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds

About 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one

3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one (PubChem CID 162419744) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
PubChem CID162419744
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
SMILESCC1(C)OCC2(CC=CC(=O)C2)CO1
InChIInChI=1S/C11H16O3/c1-10(2)13-7-11(8-14-10)5-3-4-9(12)6-11/h3-4H,5-8H2,1-2H3
InChIKeyPARHKCNZIPUHMA-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

5-(1-Ethoxyethoxymethyl)cyclohex-2-en-1-one
CID 85385459
3,3-Dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one
CID 91168660
3,3,11,11-Tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene-10-carbaldehyde
CID 145578186
(7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one
CID 10901065
8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
CID 10923896
(5S)-5-(1-ethoxyethoxymethyl)cyclohex-2-en-1-one
CID 11063403
(E)-1-(1,3-dioxan-2-yl)-3,7-dimethyloct-5-en-4-one
CID 11241925
10-(Hex-1-EN-1-YL)-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-9-EN-8-one
CID 71375441
11-Ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
CID 101052019
11-Ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
CID 101052020
(4'aR,8'S,8'aS)-5,5,8'-trimethylspiro[1,3-dioxane-2,4'-4a,5,8,8a-tetrahydronaphthalene]-1'-one
CID 101120541
(11S)-11-methyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
CID 101511883

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one?
The IUPAC name of 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one (CID 162419744) is 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one.
What is the SMILES notation for 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one?
The canonical SMILES for 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one is CC1(C)OCC2(CC=CC(=O)C2)CO1.
What is the InChIKey of 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one?
The InChIKey is PARHKCNZIPUHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-10(2)13-7-11(8-14-10)5-3-4-9(12)6-11/h3-4H,5-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one?
3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-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 3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one is sourced from PubChem (CID 162419744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).