5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole

C124H196N4O6 — CID 159074166

IUPAC5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole
SMILESC.C.CCCCCCCCCCOc1ccc2[nH]cc(CCC)c2c1.CCCCCCCCCOc1ccc(CCC)cc1.CCCCCCCCCOc1ccc2[nH]cc(CCC)c2c1.CCCCCCCCCOc1cccc(CCC)c1.CCCc1c[nH]c2ccc(OCCC(C)CCCC(C)C)cc12.CCCc1c[nH]c2ccc(OCCCCCCCc3ccccc3)cc12
InChIInChI=1S/C24H31NO.2C21H33NO.C20H31NO.2C18H30O.2CH4/c1-2-11-21-19-25-24-16-15-22(18-23(21)24)26-17-10-5-3-4-7-12-20-13-8-6-9-14-20;1-5-7-18-15-22-21-11-10-19(14-20(18)21)23-13-12-17(4)9-6-8-16(2)3;1-3-5-6-7-8-9-10-11-15-23-19-13-14-21-20(16-19)18(12-4-2)17-22-21;1-3-5-6-7-8-9-10-14-22-18-12-13-20-19(15-18)17(11-4-2)16-21-20;1-3-5-6-7-8-9-10-15-19-18-14-11-13-17(16-18)12-4-2;1-3-5-6-7-8-9-10-16-19-18-14-12-17(11-4-2)13-15-18;;/h6,8-9,13-16,18-19,25H,2-5,7,10-12,17H2,1H3;10-11,14-17,22H,5-9,12-13H2,1-4H3;13-14,16-17,22H,3-12,15H2,1-2H3;12-13,15-16,21H,3-11,14H2,1-2H3;11,13-14,16H,3-10,12,15H2,1-2H3;12-15H,3-11,16H2,1-2H3;2*1H4
InChIKeyKAAROWATKAESDD-UHFFFAOYSA-N
MW1838.95 g/mol
LogP38.74
Rot. Bonds66

About 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole

5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole (PubChem CID 159074166) has the molecular formula C124H196N4O6 and a molecular weight of 1838.95 g/mol. Its IUPAC name is 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole.

Molecular Properties

Compound Name5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole
PubChem CID159074166
Molecular FormulaC124H196N4O6
Molecular Weight1838.95 g/mol
Exact Mass1837.52
IUPAC Name5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole
SMILESC.C.CCCCCCCCCCOc1ccc2[nH]cc(CCC)c2c1.CCCCCCCCCOc1ccc(CCC)cc1.CCCCCCCCCOc1ccc2[nH]cc(CCC)c2c1.CCCCCCCCCOc1cccc(CCC)c1.CCCc1c[nH]c2ccc(OCCC(C)CCCC(C)C)cc12.CCCc1c[nH]c2ccc(OCCCCCCCc3ccccc3)cc12
InChIInChI=1S/C24H31NO.2C21H33NO.C20H31NO.2C18H30O.2CH4/c1-2-11-21-19-25-24-16-15-22(18-23(21)24)26-17-10-5-3-4-7-12-20-13-8-6-9-14-20;1-5-7-18-15-22-21-11-10-19(14-20(18)21)23-13-12-17(4)9-6-8-16(2)3;1-3-5-6-7-8-9-10-11-15-23-19-13-14-21-20(16-19)18(12-4-2)17-22-21;1-3-5-6-7-8-9-10-14-22-18-12-13-20-19(15-18)17(11-4-2)16-21-20;1-3-5-6-7-8-9-10-15-19-18-14-11-13-17(16-18)12-4-2;1-3-5-6-7-8-9-10-16-19-18-14-12-17(11-4-2)13-15-18;;/h6,8-9,13-16,18-19,25H,2-5,7,10-12,17H2,1H3;10-11,14-17,22H,5-9,12-13H2,1-4H3;13-14,16-17,22H,3-12,15H2,1-2H3;12-13,15-16,21H,3-11,14H2,1-2H3;11,13-14,16H,3-10,12,15H2,1-2H3;12-15H,3-11,16H2,1-2H3;2*1H4
InChIKeyKAAROWATKAESDD-UHFFFAOYSA-N
XLogP38.74
TPSA118.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds66
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001838.95
LogP ≤ 538.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole with MolForge

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Related Compounds

2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 134155855
1-butyl-4-propan-2-ylbenzene;1-(3-methylbutoxy)-2-propylbenzene;1-(3-methylbutoxy)-3-propylbenzene;1-(3-methylbutoxy)-4-propylbenzene
CID 163479378
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-(5-dodecoxy-1H-indol-3-yl)ethanamine;2-[5-(2-ethylhexoxy)-1H-indol-3-yl]ethanamine;2-(5-hexadecoxy-1H-indol-3-yl)ethanamine;2-(5-tetradecoxy-1H-indol-3-yl)ethanamine
CID 161238590
4-hexoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798860
2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 21071638
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
1-(9-methyldecyl)-3-(5-pentoxypentyl)benzene
CID 145255748
1-(5-bromohexoxy)-4-hexylbenzene
CID 91231401

Frequently Asked Questions

What is the IUPAC name of 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole?
The IUPAC name of 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole (CID 159074166) is 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole.
What is the SMILES notation for 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole?
The canonical SMILES for 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole is C.C.CCCCCCCCCCOc1ccc2[nH]cc(CCC)c2c1.CCCCCCCCCOc1ccc(CCC)cc1.CCCCCCCCCOc1ccc2[nH]cc(CCC)c2c1.CCCCCCCCCOc1cccc(CCC)c1.CCCc1c[nH]c2ccc(OCCC(C)CCCC(C)C)cc12.CCCc1c[nH]c2ccc(OCCCCCCCc3ccccc3)cc12.
What is the InChIKey of 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole?
The InChIKey is KAAROWATKAESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO.2C21H33NO.C20H31NO.2C18H30O.2CH4/c1-2-11-21-19-25-24-16-15-22(18-23(21)24)26-17-10-5-3-4-7-12-20-13-8-6-9-14-20;1-5-7-18-15-22-21-11-10-19(14-20(18)21)23-13-12-17(4)9-6-8-16(2)3;1-3-5-6-7-8-9-10-11-15-23-19-13-14-21-20(16-19)18(12-4-2)17-22-21;1-3-5-6-7-8-9-10-14-22-18-12-13-20-19(15-18)17(11-4-2)16-21-20;1-3-5-6-7-8-9-10-15-19-18-14-11-13-17(16-18)12-4-2;1-3-5-6-7-8-9-10-16-19-18-14-12-17(11-4-2)13-15-18;;/h6,8-9,13-16,18-19,25H,2-5,7,10-12,17H2,1H3;10-11,14-17,22H,5-9,12-13H2,1-4H3;13-14,16-17,22H,3-12,15H2,1-2H3;12-13,15-16,21H,3-11,14H2,1-2H3;11,13-14,16H,3-10,12,15H2,1-2H3;12-15H,3-11,16H2,1-2H3;2*1H4.
What are the key properties of 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole?
5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole has a molecular weight of 1838.95 g/mol, XLogP of 38.74, 66 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole is sourced from PubChem (CID 159074166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).