1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole

C81H95N5O6 — CID 157468819

IUPAC1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole
SMILESCc1ccc2c(C3=CCC(=O)CC3)c[nH]c2c1.Cc1ccc2c(C3=CCC(C)CC3)c[nH]c2c1.Cc1ccc2c(C3=CCC4(CC3)OCCO4)c[nH]c2c1.Cc1ccc2c(C3CCC(C)CC3)c[nH]c2c1.Cc1ccc2cc[nH]c2c1.O=C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H19NO2.C16H21N.C16H19N.C15H15NO.C9H9N.C8H12O3/c1-12-2-3-14-15(11-18-16(14)10-12)13-4-6-17(7-5-13)19-8-9-20-17;2*1-11-3-6-13(7-4-11)15-10-17-16-9-12(2)5-8-14(15)16;1-10-2-7-13-14(9-16-15(13)8-10)11-3-5-12(17)6-4-11;1-7-2-3-8-4-5-10-9(8)6-7;9-7-1-3-8(4-2-7)10-5-6-11-8/h2-4,10-11,18H,5-9H2,1H3;5,8-11,13,17H,3-4,6-7H2,1-2H3;5-6,8-11,17H,3-4,7H2,1-2H3;2-3,7-9,16H,4-6H2,1H3;2-6,10H,1H3;1-6H2
InChIKeyBUTZOFXEYNOBKO-UHFFFAOYSA-N
MW1234.68 g/mol
LogP20.20
Rot. Bonds4

About 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole

1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole (PubChem CID 157468819) has the molecular formula C81H95N5O6 and a molecular weight of 1234.68 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole
PubChem CID157468819
Molecular FormulaC81H95N5O6
Molecular Weight1234.68 g/mol
Exact Mass1233.73
IUPAC Name1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole
SMILESCc1ccc2c(C3=CCC(=O)CC3)c[nH]c2c1.Cc1ccc2c(C3=CCC(C)CC3)c[nH]c2c1.Cc1ccc2c(C3=CCC4(CC3)OCCO4)c[nH]c2c1.Cc1ccc2c(C3CCC(C)CC3)c[nH]c2c1.Cc1ccc2cc[nH]c2c1.O=C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H19NO2.C16H21N.C16H19N.C15H15NO.C9H9N.C8H12O3/c1-12-2-3-14-15(11-18-16(14)10-12)13-4-6-17(7-5-13)19-8-9-20-17;2*1-11-3-6-13(7-4-11)15-10-17-16-9-12(2)5-8-14(15)16;1-10-2-7-13-14(9-16-15(13)8-10)11-3-5-12(17)6-4-11;1-7-2-3-8-4-5-10-9(8)6-7;9-7-1-3-8(4-2-7)10-5-6-11-8/h2-4,10-11,18H,5-9H2,1H3;5,8-11,13,17H,3-4,6-7H2,1-2H3;5-6,8-11,17H,3-4,7H2,1-2H3;2-3,7-9,16H,4-6H2,1H3;2-6,10H,1H3;1-6H2
InChIKeyBUTZOFXEYNOBKO-UHFFFAOYSA-N
XLogP20.20
TPSA150.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001234.68
LogP ≤ 520.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole with MolForge

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Related Compounds

methyl (2R)-2-(1H-indol-3-ylmethyl)-5-[4-[(E)-2-[4-[(4R)-4-(1H-indol-3-ylmethyl)-5-methoxy-2,5-dioxopentyl]phenyl]ethenyl]phenyl]-4-oxopentanoate
CID 53348031
CID 168327228
CID 168327228
(3R)-3-(1-benzylindol-3-yl)butanal;3-[(2R)-1-(1,3-dioxolan-2-yl)propan-2-yl]-1H-indole;(3R)-3-(1H-indol-3-yl)butanal
CID 91390835
[(2R)-2-[(2R)-3,4-bis[3-(1H-indol-3-yl)propanoyloxy]oxolan-2-yl]-2-[3-(1H-indol-3-yl)propanoyloxy]ethyl] 3-(1H-indol-3-yl)propanoate
CID 142492690
[(2S,3R)-2,3,4-tris[3-(1H-indol-3-yl)propanoyloxy]butyl] 3-(1H-indol-3-yl)propanoate
CID 142492786
5-ethylbicyclo[2.2.2]oct-2-ene;ethyl bicyclo[2.2.2]oct-5-ene-2-carboxylate;bis(2-(1H-indol-3-yl)ethanamine);propane
CID 144539668
2,3,4-tris[3-(1H-indol-3-yl)propanoyloxy]butyl 3-(1H-indol-3-yl)propanoate
CID 146458095
[(2R)-2-[(2R,3R,4S)-3,4-bis[3-(1H-indol-3-yl)propanoyloxy]oxolan-2-yl]-2-[3-(1H-indol-3-yl)propanoyloxy]ethyl] 3-(1H-indol-3-yl)propanoate
CID 146458097
[2-[(2R,3R,4S)-3,4-bis[3-(1H-indol-3-yl)propanoyloxy]oxolan-2-yl]-2-[3-(1H-indol-3-yl)propanoyloxy]ethyl] 3-(1H-indol-3-yl)propanoate
CID 146458098
[(2S,3S,4R,5R)-4,5,6-tris[3-(1H-indol-3-yl)propanoyloxy]-2-methyloxan-3-yl] 3-(1H-indol-3-yl)propanoate
CID 146458116
[(3R,4R,5R)-4,5,6-tris[3-(1H-indol-3-yl)propanoyloxy]oxan-3-yl] 3-(1H-indol-3-yl)propanoate
CID 146458159
[(3R,4S,5R)-4,5,6-tris[3-(1H-indol-3-yl)propanoyloxy]oxan-3-yl] 3-(1H-indol-3-yl)propanoate
CID 146662783

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole (CID 157468819) is 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole is Cc1ccc2c(C3=CCC(=O)CC3)c[nH]c2c1.Cc1ccc2c(C3=CCC(C)CC3)c[nH]c2c1.Cc1ccc2c(C3=CCC4(CC3)OCCO4)c[nH]c2c1.Cc1ccc2c(C3CCC(C)CC3)c[nH]c2c1.Cc1ccc2cc[nH]c2c1.O=C1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole?
The InChIKey is BUTZOFXEYNOBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.C16H21N.C16H19N.C15H15NO.C9H9N.C8H12O3/c1-12-2-3-14-15(11-18-16(14)10-12)13-4-6-17(7-5-13)19-8-9-20-17;2*1-11-3-6-13(7-4-11)15-10-17-16-9-12(2)5-8-14(15)16;1-10-2-7-13-14(9-16-15(13)8-10)11-3-5-12(17)6-4-11;1-7-2-3-8-4-5-10-9(8)6-7;9-7-1-3-8(4-2-7)10-5-6-11-8/h2-4,10-11,18H,5-9H2,1H3;5,8-11,13,17H,3-4,6-7H2,1-2H3;5-6,8-11,17H,3-4,7H2,1-2H3;2-3,7-9,16H,4-6H2,1H3;2-6,10H,1H3;1-6H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole?
1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole has a molecular weight of 1234.68 g/mol, XLogP of 20.20, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-8-one;3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole;6-methyl-1H-indole;4-(6-methyl-1H-indol-3-yl)cyclohex-3-en-1-one;6-methyl-3-(4-methylcyclohexen-1-yl)-1H-indole;6-methyl-3-(4-methylcyclohexyl)-1H-indole is sourced from PubChem (CID 157468819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).