5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one

C15H16O3 — CID 11630125

IUPAC5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one
SMILESCC1(C)COC2(C=CC(=O)c3ccccc32)OC1
InChIInChI=1S/C15H16O3/c1-14(2)9-17-15(18-10-14)8-7-13(16)11-5-3-4-6-12(11)15/h3-8H,9-10H2,1-2H3
InChIKeyNFOIWELBLOKWIK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.66
Rot. Bonds

About 5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one

5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one (PubChem CID 11630125) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one.

Molecular Properties

Compound Name5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one
PubChem CID11630125
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one
SMILESCC1(C)COC2(C=CC(=O)c3ccccc32)OC1
InChIInChI=1S/C15H16O3/c1-14(2)9-17-15(18-10-14)8-7-13(16)11-5-3-4-6-12(11)15/h3-8H,9-10H2,1-2H3
InChIKeyNFOIWELBLOKWIK-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroperoxy-4-methylnaphthalen-1-one
CID 13383451
8'-hydroxyspiro[1,3-dioxolane-2,4'-naphthalene]-1'-one
CID 10036320
(1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione
CID 102432288
ethane;naphthalene-1,4-dione
CID 54088717
2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide
CID 6925710
1,1-dimethylisoquinolin-4-one
CID 126573777
tert-butyl 2-[(1R,3aS,9aR)-5',5'-dimethyl-9-oxospiro[1,3,3a,9a-tetrahydrobenzo[f][2]benzofuran-4,2'-1,3-dioxane]-1-yl]acetate
CID 11675750
2,2-dimethyloxirane;naphthalene
CID 175358693
spiro[indene-2,2'-oxirane]-1,3-dione
CID 20739732
acetic acid;naphthalene-1,4-dione
CID 163817542
6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
CID 170551613
1,6,9,22,25,30,33,46-octamethyl-7,11,20,24,31,35,44,48,49,52,55,58-dodecaoxanonacyclo[44.2.2.22,5.26,9.222,25.226,29.230,33.013,18.037,42]hexaconta-2(60),3,5(59),13,15,17,26,28,37,39,41,53-dodecaene-12,19,36,43-tetrone
CID 101341152

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one?
The IUPAC name of 5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one (CID 11630125) is 5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one.
What is the SMILES notation for 5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one?
The canonical SMILES for 5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one is CC1(C)COC2(C=CC(=O)c3ccccc32)OC1.
What is the InChIKey of 5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one?
The InChIKey is NFOIWELBLOKWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-14(2)9-17-15(18-10-14)8-7-13(16)11-5-3-4-6-12(11)15/h3-8H,9-10H2,1-2H3.
What are the key properties of 5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one?
5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one has a molecular weight of 244.29 g/mol, XLogP of 2.66, 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-2,4'-naphthalene]-1'-one is sourced from PubChem (CID 11630125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).