5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]

C14H22O2 — CID 14287443

IUPAC5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]
SMILESC=C1CC2CC3(CC2C1)OCC(C)(C)CO3
InChIInChI=1S/C14H22O2/c1-10-4-11-6-14(7-12(11)5-10)15-8-13(2,3)9-16-14/h11-12H,1,4-9H2,2-3H3
InChIKeyNHWWYYZKJAVPNW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.13
Rot. Bonds

About 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]

5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane] (PubChem CID 14287443) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane].

Molecular Properties

Compound Name5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]
PubChem CID14287443
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]
SMILESC=C1CC2CC3(CC2C1)OCC(C)(C)CO3
InChIInChI=1S/C14H22O2/c1-10-4-11-6-14(7-12(11)5-10)15-8-13(2,3)9-16-14/h11-12H,1,4-9H2,2-3H3
InChIKeyNHWWYYZKJAVPNW-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane] with MolForge

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Related Compounds

5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 13247528
(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'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
3-fluoro-8,8-dimethyl-6,10-dioxaspiro[4.5]decan-2-amine
CID 139348943
(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
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
3,3-dimethyl-1,5,8,10-tetraoxaspiro[5.5]undecane
CID 89099466
8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane
CID 14738892
3,3-dimethyl-9-[2,3,4-tris(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ylidene)cyclobutylidene]-1,5-dioxaspiro[5.5]undecane
CID 134981973
(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan
CID 139878669

Frequently Asked Questions

What is the IUPAC name of 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]?
The IUPAC name of 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane] (CID 14287443) is 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane].
What is the SMILES notation for 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]?
The canonical SMILES for 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane] is C=C1CC2CC3(CC2C1)OCC(C)(C)CO3.
What is the InChIKey of 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]?
The InChIKey is NHWWYYZKJAVPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-4-11-6-14(7-12(11)5-10)15-8-13(2,3)9-16-14/h11-12H,1,4-9H2,2-3H3.
What are the key properties of 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane]?
5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane] has a molecular weight of 222.33 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-dimethyl-5-methylidenespiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxane] is sourced from PubChem (CID 14287443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).