5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one

C16H22O3 — CID 15353157

IUPAC5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one
SMILESCC1(C)COC2(CC3CCC4C=CC(=O)C43C2)OC1
InChIInChI=1S/C16H22O3/c1-14(2)9-18-15(19-10-14)7-12-4-3-11-5-6-13(17)16(11,12)8-15/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyOFXWYKJPFXBWMT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.70
Rot. Bonds

About 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one

5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one (PubChem CID 15353157) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one.

Molecular Properties

Compound Name5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one
PubChem CID15353157
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one
SMILESCC1(C)COC2(CC3CCC4C=CC(=O)C43C2)OC1
InChIInChI=1S/C16H22O3/c1-14(2)9-18-15(19-10-14)7-12-4-3-11-5-6-13(17)16(11,12)8-15/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyOFXWYKJPFXBWMT-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one with MolForge

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Related Compounds

[(1S,2S,5S,6S,8R)-2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl]methyl 2-methylpropanoate
CID 163190109
(1R,3aS,3bR,6aS,7aS)-1-[3-(1,3-dioxan-2-yl)propyl]-4,4,6a-trimethyl-1,2,3,3a,3b,7a-hexahydrocyclopenta[a]pentalen-7-one
CID 162402218
(1'S,5'S,8'S)-5,5-dimethyl-2'-methylidenespiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undecane]-6'-one
CID 21587951
(1'S,5'S,8'S)-5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one
CID 21587959
(E)-1-[(1'R,2'R,3'aR,6'aS)-2',5,5-trimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl]-5,5-dideuterio-4-methyloct-1-en-6-yn-3-one
CID 58025200
(E)-1-[(1'R,2'R,3'aR,6'aS)-2',5,5-trimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl]-4,5,5-trimethyloct-1-en-6-yn-3-one
CID 58025223
(E)-1-(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl)-4-methyloct-1-en-6-yn-3-one
CID 143710627
(E)-1-[(1'R,3'aR,6'aS)-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl]-4-methyloct-1-en-6-yn-3-one
CID 144118242
(1'R,2'R,6'S,7'S)-4',4'-dimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]dec-8-ene]-3'-one
CID 10955493
(1S,2R,5S,6S,7R)-5,6-bis(1-ethoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11245112
(1R,5R,7R)-7-[2-(methoxymethoxy)ethyl]-3-methylidenetricyclo[5.3.1.01,5]undec-8-en-10-one
CID 11747424
(3aS,3bR,6aS,7aR)-6a-(5,5-dimethyl-1,3-dioxan-2-yl)-3a,3b,4,6,7,7a-hexahydro-3H-cyclopenta[a]pentalen-5-one
CID 11747823

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one?
The IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one (CID 15353157) is 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one.
What is the SMILES notation for 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one?
The canonical SMILES for 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one is CC1(C)COC2(CC3CCC4C=CC(=O)C43C2)OC1.
What is the InChIKey of 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one?
The InChIKey is OFXWYKJPFXBWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-14(2)9-18-15(19-10-14)7-12-4-3-11-5-6-13(17)16(11,12)8-15/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one?
5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one has a molecular weight of 262.35 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylspiro[1,3-dioxane-2,10'-tricyclo[6.3.0.01,5]undec-3-ene]-2'-one is sourced from PubChem (CID 15353157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).