5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]

C13H20O2 — CID 13247528

IUPAC5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
SMILESCC1(C)COC2(CC3C=CCC3C2)OC1
InChIInChI=1S/C13H20O2/c1-12(2)8-14-13(15-9-12)6-10-4-3-5-11(10)7-13/h3-4,10-11H,5-9H2,1-2H3
InChIKeyMFPZHVAUQQEPCD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.74
Rot. Bonds

About 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]

5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene] (PubChem CID 13247528) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene].

Molecular Properties

Compound Name5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
PubChem CID13247528
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
SMILESCC1(C)COC2(CC3C=CCC3C2)OC1
InChIInChI=1S/C13H20O2/c1-12(2)8-14-13(15-9-12)6-10-4-3-5-11(10)7-13/h3-4,10-11H,5-9H2,1-2H3
InChIKeyMFPZHVAUQQEPCD-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene] with MolForge

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Related Compounds

5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]
CID 14287443
(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)methanol
CID 154663039
(3'aR,6'aS)-5,5-dimethyl-2'-sulfanyloxyspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 167097543
3-fluoro-8,8-dimethyl-6,10-dioxaspiro[4.5]decan-2-amine
CID 139348943
[(3'aR,6'aS)-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]-carboxycarbamic acid
CID 155231261
2-[(1'S,3'aS,6'aS)-5,5-dimethylspiro[1,3-dioxane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-1'-yl]-N,N-dimethylacetamide;2-[(1'R,3'aR,6'aR)-5,5-dimethylspiro[1,3-dioxane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-1'-yl]-N,N-dimethylacetamide
CID 139056676
(1R,5S)-bicyclo[3.2.0]hept-2-ene
CID 141236414
(3'aS,6'aR)-5,5-dimethyl-2'-(2,4,6-trimethylphenoxy)spiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 90682009
(3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
CID 58990308
(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol
CID 129413222
2-(5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl)butanoic acid
CID 67432796
methyl (1'S,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'-carboxylate
CID 70934611

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]?
The IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene] (CID 13247528) is 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene].
What is the SMILES notation for 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]?
The canonical SMILES for 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene] is CC1(C)COC2(CC3C=CCC3C2)OC1.
What is the InChIKey of 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]?
The InChIKey is MFPZHVAUQQEPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2)8-14-13(15-9-12)6-10-4-3-5-11(10)7-13/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]?
5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene] has a molecular weight of 208.30 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 5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene] is sourced from PubChem (CID 13247528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).