3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene

C12H20O2 — CID 3732384

IUPAC3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
SMILESCC1=CCC2(COC(C)OC2)C(C)C1
InChIInChI=1S/C12H20O2/c1-9-4-5-12(10(2)6-9)7-13-11(3)14-8-12/h4,10-11H,5-8H2,1-3H3
InChIKeyIDESPEIRNJTAMU-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds

About 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene

3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene (PubChem CID 3732384) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene.

Molecular Properties

Compound Name3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
PubChem CID3732384
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
SMILESCC1=CCC2(COC(C)OC2)C(C)C1
InChIInChI=1S/C12H20O2/c1-9-4-5-12(10(2)6-9)7-13-11(3)14-8-12/h4,10-11H,5-8H2,1-3H3
InChIKeyIDESPEIRNJTAMU-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Diethoxy-3,7-dimethyloct-6-ene
CID 3018210
1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
CID 16070752
2-Octene, 8-(1-ethoxyethoxy)-2,6-dimethyl-
CID 111452
2,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)-
CID 13782871
2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-
CID 107057
3-(3-Cyclohexenyl)-2,4-dioxaspiro(5.5)undec-8-ene
CID 15756
2-(2,6-Dimethyl-5-heptenyl)-4-methyl-1,3-dioxane
CID 228644
2,4-Dioxaspiro[5.5]undec-8-ene, 3-ethyl-
CID 116562
2,4-Dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
CID 172844
1-Methoxy-7,9-dimethyl-2-oxaspiro[5.5]undec-8-ene
CID 66600706
5-Sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 139415167
Cyclohexene, 4-(dimethoxymethyl)-1,3-dimethyl-
CID 21156084

Frequently Asked Questions

What is the IUPAC name of 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene?
The IUPAC name of 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene (CID 3732384) is 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene.
What is the SMILES notation for 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene?
The canonical SMILES for 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene is CC1=CCC2(COC(C)OC2)C(C)C1.
What is the InChIKey of 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene?
The InChIKey is IDESPEIRNJTAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-4-5-12(10(2)6-9)7-13-11(3)14-8-12/h4,10-11H,5-8H2,1-3H3.
What are the key properties of 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene?
3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene has a molecular weight of 196.29 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene is sourced from PubChem (CID 3732384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).