11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one

C13H20O3 — CID 101052020

IUPAC11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
SMILESCCC1CC(=O)C=CC12OCC(C)(C)CO2
InChIInChI=1S/C13H20O3/c1-4-10-7-11(14)5-6-13(10)15-8-12(2,3)9-16-13/h5-6,10H,4,7-9H2,1-3H3
InChIKeyRKGSUDOHTCAINM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.31
Rot. Bonds1

About 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one

11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one (PubChem CID 101052020) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one.

Molecular Properties

Compound Name11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
PubChem CID101052020
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
SMILESCCC1CC(=O)C=CC12OCC(C)(C)CO2
InChIInChI=1S/C13H20O3/c1-4-10-7-11(14)5-6-13(10)15-8-12(2,3)9-16-13/h5-6,10H,4,7-9H2,1-3H3
InChIKeyRKGSUDOHTCAINM-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one with MolForge

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Related Compounds

6-Methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one
CID 75166531
Epoxydine A
CID 139583546
tert-butyl [(1S,5S)-5-methyl-4-oxocyclohex-2-en-1-yl] carbonate
CID 24784697
(5R)-4,4-dimethoxy-5-methylcyclohex-2-en-1-one
CID 101538683
tert-butyl [(1R,5R)-5-methyl-4-oxocyclohex-2-en-1-yl] carbonate
CID 134832248
tert-butyl [(1R,5S)-5-methyl-4-oxocyclohex-2-en-1-yl] carbonate
CID 134856124
((4r,4'S,6s,6's)-4,4'-oxybis(6-methylcyclohex-2-en-1-one))
CID 157659968
3,3-Dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
CID 162419744
9-Methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 91701092
4,4-Dimethoxy-5-methylcyclohex-2-en-1-one
CID 11745061
tert-butyl [(1S,5R)-5-methyl-4-oxocyclohex-2-en-1-yl] carbonate
CID 24784698
9,9-Dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 57734300

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one?
The IUPAC name of 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one (CID 101052020) is 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one.
What is the SMILES notation for 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one?
The canonical SMILES for 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one is CCC1CC(=O)C=CC12OCC(C)(C)CO2.
What is the InChIKey of 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one?
The InChIKey is RKGSUDOHTCAINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-10-7-11(14)5-6-13(10)15-8-12(2,3)9-16-13/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one?
11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one has a molecular weight of 224.30 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one is sourced from PubChem (CID 101052020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).