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)

C194H278N10O20 — CID 158488451

IUPACtris((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)
SMILESCCCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC
InChIInChI=1S/3C21H31NO2.4C20H29NO2.3C17H23NO2/c3*1-4-5-6-7-8-9-10-11-14-24-20-13-12-19(15-18(2)17-22)16-21(20)23-3;4*1-4-5-6-7-8-9-10-13-23-19-12-11-18(14-17(2)16-21)15-20(19)22-3;3*1-4-5-6-7-10-20-16-9-8-15(11-14(2)13-18)12-17(16)19-3/h3*12-13,15-16H,4-11,14H2,1-3H3;4*11-12,14-15H,4-10,13H2,1-3H3;3*8-9,11-12H,4-7,10H2,1-3H3/b3*18-15-;4*17-14-;3*14-11-
InChIKeyHIJXSEBHVZBMLO-YYBMCMFWSA-N
MW3070.41 g/mol
LogP55.17
Rot. Bonds104

About 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)

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) (PubChem CID 158488451) has the molecular formula C194H278N10O20 and a molecular weight of 3070.41 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Nametris((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)
PubChem CID158488451
Molecular FormulaC194H278N10O20
Molecular Weight3070.41 g/mol
Exact Mass3068.10
IUPAC Nametris((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)
SMILESCCCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC
InChIInChI=1S/3C21H31NO2.4C20H29NO2.3C17H23NO2/c3*1-4-5-6-7-8-9-10-11-14-24-20-13-12-19(15-18(2)17-22)16-21(20)23-3;4*1-4-5-6-7-8-9-10-13-23-19-12-11-18(14-17(2)16-21)15-20(19)22-3;3*1-4-5-6-7-10-20-16-9-8-15(11-14(2)13-18)12-17(16)19-3/h3*12-13,15-16H,4-11,14H2,1-3H3;4*11-12,14-15H,4-10,13H2,1-3H3;3*8-9,11-12H,4-7,10H2,1-3H3/b3*18-15-;4*17-14-;3*14-11-
InChIKeyHIJXSEBHVZBMLO-YYBMCMFWSA-N
XLogP55.17
TPSA422.50 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds104
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003070.41
LogP ≤ 555.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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) 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
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
1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
CID 129181829
(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
dodecyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 57280673
(4-nitrophenyl) (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 19195672
2-[[4-[16-[4-(2-cyano-4,4-dimethyl-3-oxopent-1-enyl)-2-methoxyphenoxy]hexadecoxy]-3-methoxyphenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 139830873
(E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enenitrile
CID 82161059
(E)-2-cyano-N-(2,6-diethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19174091
(Z)-3-(3-methoxy-4-pentoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 110536320

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.CCCCCCOc1ccc(/C=C(/C)C#N)cc1OC.
What is the InChIKey of 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)?
The InChIKey is HIJXSEBHVZBMLO-YYBMCMFWSA-N. The full InChI is InChI=1S/3C21H31NO2.4C20H29NO2.3C17H23NO2/c3*1-4-5-6-7-8-9-10-11-14-24-20-13-12-19(15-18(2)17-22)16-21(20)23-3;4*1-4-5-6-7-8-9-10-13-23-19-12-11-18(14-17(2)16-21)15-20(19)22-3;3*1-4-5-6-7-10-20-16-9-8-15(11-14(2)13-18)12-17(16)19-3/h3*12-13,15-16H,4-11,14H2,1-3H3;4*11-12,14-15H,4-10,13H2,1-3H3;3*8-9,11-12H,4-7,10H2,1-3H3/b3*18-15-;4*17-14-;3*14-11-.
What are the key properties of 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)?
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) has a molecular weight of 3070.41 g/mol, XLogP of 55.17, 104 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158488451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).