1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile

C189H249N11O20 — CID 162143323

IUPAC1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile
SMILESC=Cc1ccc(OCCCC)c(OC)c1.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC
InChIInChI=1S/3C17H23NO2.2C17H23NO.C16H21NO.4C15H19NO2.C15H19NO.C13H18O2/c3*1-4-5-6-7-10-20-16-9-8-15(11-14(2)13-18)12-17(16)19-3;2*1-3-4-5-6-7-12-19-17-10-8-16(9-11-17)13-15(2)14-18;1-3-4-5-6-11-18-16-9-7-15(8-10-16)12-14(2)13-17;4*1-4-5-8-18-14-7-6-13(9-12(2)11-16)10-15(14)17-3;1-3-4-5-10-17-15-8-6-14(7-9-15)11-13(2)12-16;1-4-6-9-15-12-8-7-11(5-2)10-13(12)14-3/h3*8-9,11-12H,4-7,10H2,1-3H3;2*8-11,13H,3-7,12H2,1-2H3;7-10,12H,3-6,11H2,1-2H3;4*6-7,9-10H,4-5,8H2,1-3H3;6-9,11H,3-5,10H2,1-2H3;5,7-8,10H,2,4,6,9H2,1,3H3/b3*14-11-;2*15-13-;14-12-;4*12-9-;13-11-;
InChIKeyZKFHQZWBTLWOQI-HIKYPWAVSA-N
MW2995.13 g/mol
LogP51.14
Rot. Bonds83

About 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile

1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile (PubChem CID 162143323) has the molecular formula C189H249N11O20 and a molecular weight of 2995.13 g/mol. Its IUPAC name is 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile
PubChem CID162143323
Molecular FormulaC189H249N11O20
Molecular Weight2995.13 g/mol
Exact Mass2992.88
IUPAC Name1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile
SMILESC=Cc1ccc(OCCCC)c(OC)c1.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC
InChIInChI=1S/3C17H23NO2.2C17H23NO.C16H21NO.4C15H19NO2.C15H19NO.C13H18O2/c3*1-4-5-6-7-10-20-16-9-8-15(11-14(2)13-18)12-17(16)19-3;2*1-3-4-5-6-7-12-19-17-10-8-16(9-11-17)13-15(2)14-18;1-3-4-5-6-11-18-16-9-7-15(8-10-16)12-14(2)13-17;4*1-4-5-8-18-14-7-6-13(9-12(2)11-16)10-15(14)17-3;1-3-4-5-10-17-15-8-6-14(7-9-15)11-13(2)12-16;1-4-6-9-15-12-8-7-11(5-2)10-13(12)14-3/h3*8-9,11-12H,4-7,10H2,1-3H3;2*8-11,13H,3-7,12H2,1-2H3;7-10,12H,3-6,11H2,1-2H3;4*6-7,9-10H,4-5,8H2,1-3H3;6-9,11H,3-5,10H2,1-2H3;5,7-8,10H,2,4,6,9H2,1,3H3/b3*14-11-;2*15-13-;14-12-;4*12-9-;13-11-;
InChIKeyZKFHQZWBTLWOQI-HIKYPWAVSA-N
XLogP51.14
TPSA446.29 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds83
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002995.13
LogP ≤ 551.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile with MolForge

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Related Compounds

tris((Z)-3-(4-decoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);tetrakis((Z)-3-(3-methoxy-4-nonoxyphenyl)-2-methylprop-2-enenitrile)
CID 158488451
1-butoxy-4-ethenyl-2-methoxybenzene;bis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-[4-(cyclohexylmethoxy)-3-methoxyphenyl]-2-methylprop-2-enenitrile);tetrakis((Z)-3-(4-heptoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(3-methoxy-4-nonoxyphenyl)-2-methylprop-2-enenitrile
CID 159096975
(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 6025938
2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4165571
(4-butoxyphenyl) 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 91554965
(4-nitrophenyl) (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 19195672
1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
CID 129181829
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
(Z)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 2130654
1-heptoxy-2-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 19170401
2-methoxy-1-octadecoxy-4-[4-(4-octadecoxyphenyl)phenyl]benzene
CID 150766167

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile?
The IUPAC name of 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile (CID 162143323) is 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile?
The canonical SMILES for 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile is C=Cc1ccc(OCCCC)c(OC)c1.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCOc1ccc(/C=C(/C)C#N)cc1.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.
What is the InChIKey of 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile?
The InChIKey is ZKFHQZWBTLWOQI-HIKYPWAVSA-N. The full InChI is InChI=1S/3C17H23NO2.2C17H23NO.C16H21NO.4C15H19NO2.C15H19NO.C13H18O2/c3*1-4-5-6-7-10-20-16-9-8-15(11-14(2)13-18)12-17(16)19-3;2*1-3-4-5-6-7-12-19-17-10-8-16(9-11-17)13-15(2)14-18;1-3-4-5-6-11-18-16-9-7-15(8-10-16)12-14(2)13-17;4*1-4-5-8-18-14-7-6-13(9-12(2)11-16)10-15(14)17-3;1-3-4-5-10-17-15-8-6-14(7-9-15)11-13(2)12-16;1-4-6-9-15-12-8-7-11(5-2)10-13(12)14-3/h3*8-9,11-12H,4-7,10H2,1-3H3;2*8-11,13H,3-7,12H2,1-2H3;7-10,12H,3-6,11H2,1-2H3;4*6-7,9-10H,4-5,8H2,1-3H3;6-9,11H,3-5,10H2,1-2H3;5,7-8,10H,2,4,6,9H2,1,3H3/b3*14-11-;2*15-13-;14-12-;4*12-9-;13-11-;.
What are the key properties of 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile?
1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile has a molecular weight of 2995.13 g/mol, XLogP of 51.14, 83 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-ethenyl-2-methoxybenzene;tetrakis((Z)-3-(4-butoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);bis((Z)-3-(4-heptoxyphenyl)-2-methylprop-2-enenitrile);tris((Z)-3-(4-hexoxy-3-methoxyphenyl)-2-methylprop-2-enenitrile);(Z)-3-(4-hexoxyphenyl)-2-methylprop-2-enenitrile;(Z)-2-methyl-3-(4-pentoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 162143323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).