triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane

C34H46O3SSi — CID 23244859

IUPACtriethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane
SMILESCCO[Si](/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c1cccs1)(OCC)OCC
InChIInChI=1S/C34H46O3SSi/c1-8-35-39(36-9-2,37-10-3)29-14-13-20-32(6)22-15-21-30(4)18-11-12-19-31(5)23-16-24-33(7)26-27-34-25-17-28-38-34/h11-29H,8-10H2,1-7H3/b12-11+,20-13+,21-15+,23-16+,27-26+,29-14+,30-18+,31-19+,32-22+,33-24+
InChIKeyDATGZIQBUWPQJL-DXKXCMKMSA-N
MW562.89 g/mol
LogP9.92
Rot. Bonds17

About triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane

triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane (PubChem CID 23244859) has the molecular formula C34H46O3SSi and a molecular weight of 562.89 g/mol. Its IUPAC name is triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane.

Molecular Properties

Compound Nametriethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane
PubChem CID23244859
Molecular FormulaC34H46O3SSi
Molecular Weight562.89 g/mol
Exact Mass562.29
IUPAC Nametriethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane
SMILESCCO[Si](/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c1cccs1)(OCC)OCC
InChIInChI=1S/C34H46O3SSi/c1-8-35-39(36-9-2,37-10-3)29-14-13-20-32(6)22-15-21-30(4)18-11-12-19-31(5)23-16-24-33(7)26-27-34-25-17-28-38-34/h11-29H,8-10H2,1-7H3/b12-11+,20-13+,21-15+,23-16+,27-26+,29-14+,30-18+,31-19+,32-22+,33-24+
InChIKeyDATGZIQBUWPQJL-DXKXCMKMSA-N
XLogP9.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.89
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane with MolForge

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Related Compounds

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2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78788566
ethyl (2E,4E,6E,8E)-3,7-dimethyl-9-(5-methylthiophen-2-yl)nona-2,4,6,8-tetraenoate
CID 12875239
ethyl 4-[(Z)-3-thiophen-2-ylprop-2-enoyl]piperazine-1-carboxylate
CID 92919452
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
methyl (2Z,4E)-2-acetyl-5-thiophen-2-ylpenta-2,4-dienoate
CID 805471
methyl (2E,4E,6E)-7-thiophen-2-ylhepta-2,4,6-trienoate
CID 14546239
2-(dimethylamino)ethyl butanoate;(2E,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dien-1-imine
CID 165407962
(E)-2-thiophen-2-ylethenol
CID 89297537
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894

Frequently Asked Questions

What is the IUPAC name of triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane?
The IUPAC name of triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane (CID 23244859) is triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane.
What is the SMILES notation for triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane?
The canonical SMILES for triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane is CCO[Si](/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c1cccs1)(OCC)OCC.
What is the InChIKey of triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane?
The InChIKey is DATGZIQBUWPQJL-DXKXCMKMSA-N. The full InChI is InChI=1S/C34H46O3SSi/c1-8-35-39(36-9-2,37-10-3)29-14-13-20-32(6)22-15-21-30(4)18-11-12-19-31(5)23-16-24-33(7)26-27-34-25-17-28-38-34/h11-29H,8-10H2,1-7H3/b12-11+,20-13+,21-15+,23-16+,27-26+,29-14+,30-18+,31-19+,32-22+,33-24+.
What are the key properties of triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane?
triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane has a molecular weight of 562.89 g/mol, XLogP of 9.92, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-thiophen-2-ylicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]silane is sourced from PubChem (CID 23244859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).