3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one

C11H16O3 — CID 91168660

IUPAC3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one
SMILESCC1(C)COC2(C=CC(=O)CC2)OC1
InChIInChI=1S/C11H16O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3,5H,4,6-8H2,1-2H3
InChIKeyBJOOFZHKNRQNHI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds

About 3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one

3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one (PubChem CID 91168660) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one.

Molecular Properties

Compound Name3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one
PubChem CID91168660
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one
SMILESCC1(C)COC2(C=CC(=O)CC2)OC1
InChIInChI=1S/C11H16O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3,5H,4,6-8H2,1-2H3
InChIKeyBJOOFZHKNRQNHI-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

8,8-Dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one
CID 14778541
3,3,10-Trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
CID 11160081
2,4,10-Trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
CID 134936408
3,3-Dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
CID 162419744
3,3,8,10,11-Pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
CID 71130717
4-(1-Methoxycyclohexyl)oxycyclohex-2-en-1-one
CID 10966158
1,3-Dimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
CID 14352076
2-Cyclohexen-1-one, 4,4-diethoxy-5-ethyl-
CID 45094277
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-1,5-dioxaspiro[5.5]undec-10-en-9-one?
The IUPAC name of 3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one (CID 91168660) is 3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one.
What is the SMILES notation for 3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one?
The canonical SMILES for 3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one is CC1(C)COC2(C=CC(=O)CC2)OC1.
What is the InChIKey of 3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one?
The InChIKey is BJOOFZHKNRQNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3,5H,4,6-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-one?
3,3-dimethyl-1,5-dioxaspiro[5.5]undec-10-en-9-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-1,5-dioxaspiro[5.5]undec-10-en-9-one is sourced from PubChem (CID 91168660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).