6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one

C15H18O5 — CID 135016415

IUPAC6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one
SMILESCOc1ccc2c(c1)CCC1(COCOCOC1)C2=O
InChIInChI=1S/C15H18O5/c1-17-12-2-3-13-11(6-12)4-5-15(14(13)16)7-18-9-20-10-19-8-15/h2-3,6H,4-5,7-10H2,1H3
InChIKeyJWYCMBYZUWDKRU-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.79
Rot. Bonds1

About 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one

6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one (PubChem CID 135016415) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one.

Molecular Properties

Compound Name6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one
PubChem CID135016415
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one
SMILESCOc1ccc2c(c1)CCC1(COCOCOC1)C2=O
InChIInChI=1S/C15H18O5/c1-17-12-2-3-13-11(6-12)4-5-15(14(13)16)7-18-9-20-10-19-8-15/h2-3,6H,4-5,7-10H2,1H3
InChIKeyJWYCMBYZUWDKRU-UHFFFAOYSA-N
XLogP1.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-bis(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
CID 132563408
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 161055612
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
CID 132563406
7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 82277925
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 143943923
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile
CID 70610370
2-butyl-2-ethenyl-6-methoxy-3,4-dihydronaphthalen-1-one
CID 89098107

Frequently Asked Questions

What is the IUPAC name of 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one?
The IUPAC name of 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one (CID 135016415) is 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one.
What is the SMILES notation for 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one?
The canonical SMILES for 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one is COc1ccc2c(c1)CCC1(COCOCOC1)C2=O.
What is the InChIKey of 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one?
The InChIKey is JWYCMBYZUWDKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-17-12-2-3-13-11(6-12)4-5-15(14(13)16)7-18-9-20-10-19-8-15/h2-3,6H,4-5,7-10H2,1H3.
What are the key properties of 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one?
6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one has a molecular weight of 278.30 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one is sourced from PubChem (CID 135016415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).