ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione

C17H20O3 — CID 161055612

IUPACethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESC=C.COc1ccc2c(c1)CC1(CCC(=O)CC1)C2=O
InChIInChI=1S/C15H16O3.C2H4/c1-18-12-2-3-13-10(8-12)9-15(14(13)17)6-4-11(16)5-7-15;1-2/h2-3,8H,4-7,9H2,1H3;1-2H2
InChIKeyUCSAVGQGBUALFW-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.37
Rot. Bonds1

About ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione

ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (PubChem CID 161055612) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.

Molecular Properties

Compound Nameethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
PubChem CID161055612
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nameethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESC=C.COc1ccc2c(c1)CC1(CCC(=O)CC1)C2=O
InChIInChI=1S/C15H16O3.C2H4/c1-18-12-2-3-13-10(8-12)9-15(14(13)17)6-4-11(16)5-7-15;1-2/h2-3,8H,4-7,9H2,1H3;1-2H2
InChIKeyUCSAVGQGBUALFW-UHFFFAOYSA-N
XLogP3.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-bis(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
CID 132563408
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one
CID 135016415
5-(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
CID 132563406
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carbonitrile
CID 70610370
6-bromospiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 58197205
2-butyl-5-methoxy-2-prop-2-enyl-3H-inden-1-one
CID 12045757
6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 143943923
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
prop-2-enyl 6-methoxy-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalene-2-carboxylate
CID 101410049
2-ethenyl-5-methoxy-2-pentyl-3H-inden-1-one
CID 89098105

Frequently Asked Questions

What is the IUPAC name of ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The IUPAC name of ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (CID 161055612) is ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.
What is the SMILES notation for ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The canonical SMILES for ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is C=C.COc1ccc2c(c1)CC1(CCC(=O)CC1)C2=O.
What is the InChIKey of ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The InChIKey is UCSAVGQGBUALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3.C2H4/c1-18-12-2-3-13-10(8-12)9-15(14(13)17)6-4-11(16)5-7-15;1-2/h2-3,8H,4-7,9H2,1H3;1-2H2.
What are the key properties of ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione has a molecular weight of 272.34 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is sourced from PubChem (CID 161055612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).