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

C189H254N10O22 — CID 159096975

IUPAC1-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
SMILESC=Cc1ccc(OCCCC)c(OC)c1.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.COc1cc(/C=C(/C)C#N)ccc1OCC1CCCCC1.COc1cc(/C=C(/C)C#N)ccc1OCC1CCCCC1.COc1cc(/C=C(/C)C#N)ccc1OCC1CCCCC1
InChIInChI=1S/C20H29NO2.3C18H23NO2.4C18H25NO2.2C15H19NO2.C13H18O2/c1-4-5-6-7-8-9-10-13-23-19-12-11-18(14-17(2)16-21)15-20(19)22-3;3*1-14(12-19)10-16-8-9-17(18(11-16)20-2)21-13-15-6-4-3-5-7-15;4*1-4-5-6-7-8-11-21-17-10-9-16(12-15(2)14-19)13-18(17)20-3;2*1-4-5-8-18-14-7-6-13(9-12(2)11-16)10-15(14)17-3;1-4-6-9-15-12-8-7-11(5-2)10-13(12)14-3/h11-12,14-15H,4-10,13H2,1-3H3;3*8-11,15H,3-7,13H2,1-2H3;4*9-10,12-13H,4-8,11H2,1-3H3;2*6-7,9-10H,4-5,8H2,1-3H3;5,7-8,10H,2,4,6,9H2,1,3H3/b17-14-;3*14-10-;4*15-12-;2*12-9-;
InChIKeyKCUGXZOQKQDIIT-GJFSKCJSSA-N
MW3018.16 g/mol
LogP50.50
Rot. Bonds80

About 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

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 (PubChem CID 159096975) has the molecular formula C189H254N10O22 and a molecular weight of 3018.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159096975
Molecular FormulaC189H254N10O22
Molecular Weight3018.16 g/mol
Exact Mass3015.91
IUPAC Name1-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
SMILESC=Cc1ccc(OCCCC)c(OC)c1.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.COc1cc(/C=C(/C)C#N)ccc1OCC1CCCCC1.COc1cc(/C=C(/C)C#N)ccc1OCC1CCCCC1.COc1cc(/C=C(/C)C#N)ccc1OCC1CCCCC1
InChIInChI=1S/C20H29NO2.3C18H23NO2.4C18H25NO2.2C15H19NO2.C13H18O2/c1-4-5-6-7-8-9-10-13-23-19-12-11-18(14-17(2)16-21)15-20(19)22-3;3*1-14(12-19)10-16-8-9-17(18(11-16)20-2)21-13-15-6-4-3-5-7-15;4*1-4-5-6-7-8-11-21-17-10-9-16(12-15(2)14-19)13-18(17)20-3;2*1-4-5-8-18-14-7-6-13(9-12(2)11-16)10-15(14)17-3;1-4-6-9-15-12-8-7-11(5-2)10-13(12)14-3/h11-12,14-15H,4-10,13H2,1-3H3;3*8-11,15H,3-7,13H2,1-2H3;4*9-10,12-13H,4-8,11H2,1-3H3;2*6-7,9-10H,4-5,8H2,1-3H3;5,7-8,10H,2,4,6,9H2,1,3H3/b17-14-;3*14-10-;4*15-12-;2*12-9-;
InChIKeyKCUGXZOQKQDIIT-GJFSKCJSSA-N
XLogP50.50
TPSA440.96 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds80
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003018.16
LogP ≤ 550.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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;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 with MolForge

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Related Compounds

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
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
(Z)-2-cyano-N-cyclohexyl-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 19183837
(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
(E)-3-[3-(cyclohexylmethoxy)phenyl]-2-methylprop-2-enenitrile
CID 172583892
(3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2-[(3-methoxy-4-octoxyphenyl)methylidene]-3-oxobutanenitrile
CID 158803726
1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
CID 129181829
(4-nitrophenyl) (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 19195672
1-butoxy-2-cyclopentyl-4-ethenylbenzene
CID 89054321
(Z)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-propan-2-ylprop-2-enamide
CID 19183683
(Z)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 2130654

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(OCCCC)c(OC)c1.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCOc1ccc(/C=C(/C)C#N)cc1OC.COc1cc(/C=C(/C)C#N)ccc1OCC1CCCCC1.COc1cc(/C=C(/C)C#N)ccc1OCC1CCCCC1.COc1cc(/C=C(/C)C#N)ccc1OCC1CCCCC1.
What is the InChIKey of 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?
The InChIKey is KCUGXZOQKQDIIT-GJFSKCJSSA-N. The full InChI is InChI=1S/C20H29NO2.3C18H23NO2.4C18H25NO2.2C15H19NO2.C13H18O2/c1-4-5-6-7-8-9-10-13-23-19-12-11-18(14-17(2)16-21)15-20(19)22-3;3*1-14(12-19)10-16-8-9-17(18(11-16)20-2)21-13-15-6-4-3-5-7-15;4*1-4-5-6-7-8-11-21-17-10-9-16(12-15(2)14-19)13-18(17)20-3;2*1-4-5-8-18-14-7-6-13(9-12(2)11-16)10-15(14)17-3;1-4-6-9-15-12-8-7-11(5-2)10-13(12)14-3/h11-12,14-15H,4-10,13H2,1-3H3;3*8-11,15H,3-7,13H2,1-2H3;4*9-10,12-13H,4-8,11H2,1-3H3;2*6-7,9-10H,4-5,8H2,1-3H3;5,7-8,10H,2,4,6,9H2,1,3H3/b17-14-;3*14-10-;4*15-12-;2*12-9-;.
What are the key properties of 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?
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 has a molecular weight of 3018.16 g/mol, XLogP of 50.50, 80 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159096975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).