triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane

C82H138O22Si5 — CID 159000118

IUPACtriethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane
SMILESC=CCOc1ccc(CCC[Si](OCC)(OCC)OCC)cc1.C=CCOc1ccc(C[Si](OCC)(OCC)OCC)cc1.C=CCOc1ccc([Si](OCC)(OCC)OCC)cc1.CCOC(C)Oc1ccc(C[Si](OCC)(OCC)OCC)cc1.CCOC(C)Oc1ccc([Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C18H30O4Si.C17H30O5Si.C16H28O5Si.C16H26O4Si.C15H24O4Si/c1-5-15-19-18-13-11-17(12-14-18)10-9-16-23(20-6-2,21-7-3)22-8-4;1-6-18-15(5)22-17-12-10-16(11-13-17)14-23(19-7-2,20-8-3)21-9-4;1-6-17-14(5)21-15-10-12-16(13-11-15)22(18-7-2,19-8-3)20-9-4;1-5-13-17-16-11-9-15(10-12-16)14-21(18-6-2,19-7-3)20-8-4;1-5-13-16-14-9-11-15(12-10-14)20(17-6-2,18-7-3)19-8-4/h5,11-14H,1,6-10,15-16H2,2-4H3;10-13,15H,6-9,14H2,1-5H3;10-14H,6-9H2,1-5H3;5,9-12H,1,6-8,13-14H2,2-4H3;5,9-12H,1,6-8,13H2,2-4H3
InChIKeyJRFWPVQLJJLYIV-UHFFFAOYSA-N
MW1616.41 g/mol
LogP16.40
Rot. Bonds57

About triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane

triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane (PubChem CID 159000118) has the molecular formula C82H138O22Si5 and a molecular weight of 1616.41 g/mol. Its IUPAC name is triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane.

Molecular Properties

Compound Nametriethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane
PubChem CID159000118
Molecular FormulaC82H138O22Si5
Molecular Weight1616.41 g/mol
Exact Mass1614.85
IUPAC Nametriethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane
SMILESC=CCOc1ccc(CCC[Si](OCC)(OCC)OCC)cc1.C=CCOc1ccc(C[Si](OCC)(OCC)OCC)cc1.C=CCOc1ccc([Si](OCC)(OCC)OCC)cc1.CCOC(C)Oc1ccc(C[Si](OCC)(OCC)OCC)cc1.CCOC(C)Oc1ccc([Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C18H30O4Si.C17H30O5Si.C16H28O5Si.C16H26O4Si.C15H24O4Si/c1-5-15-19-18-13-11-17(12-14-18)10-9-16-23(20-6-2,21-7-3)22-8-4;1-6-18-15(5)22-17-12-10-16(11-13-17)14-23(19-7-2,20-8-3)21-9-4;1-6-17-14(5)21-15-10-12-16(13-11-15)22(18-7-2,19-8-3)20-9-4;1-5-13-17-16-11-9-15(10-12-16)14-21(18-6-2,19-7-3)20-8-4;1-5-13-16-14-9-11-15(12-10-14)20(17-6-2,18-7-3)19-8-4/h5,11-14H,1,6-10,15-16H2,2-4H3;10-13,15H,6-9,14H2,1-5H3;10-14H,6-9H2,1-5H3;5,9-12H,1,6-8,13-14H2,2-4H3;5,9-12H,1,6-8,13H2,2-4H3
InChIKeyJRFWPVQLJJLYIV-UHFFFAOYSA-N
XLogP16.40
TPSA203.06 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds57
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.41
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane
CID 158445572
triethoxy-[3-[4-(1-ethoxyethoxy)phenyl]propyl]silane
CID 123955246
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
triethoxy-(4-prop-2-enylphenyl)silane
CID 66685937
triethoxy-(4-hexylphenyl)silane
CID 146005025
triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane
CID 170013554
3-(4-prop-2-enoxyphenyl)propan-1-ol
CID 54214209
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
1-pentyl-4-[2-(4-prop-2-enoxyphenyl)ethynyl]benzene
CID 70371623
1-(6-fluoroheptyl)-4-(4-prop-2-enoxyphenyl)benzene
CID 67636516
2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane
CID 66846155
2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
CID 11379114

Frequently Asked Questions

What is the IUPAC name of triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane?
The IUPAC name of triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane (CID 159000118) is triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane.
What is the SMILES notation for triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane?
The canonical SMILES for triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane is C=CCOc1ccc(CCC[Si](OCC)(OCC)OCC)cc1.C=CCOc1ccc(C[Si](OCC)(OCC)OCC)cc1.C=CCOc1ccc([Si](OCC)(OCC)OCC)cc1.CCOC(C)Oc1ccc(C[Si](OCC)(OCC)OCC)cc1.CCOC(C)Oc1ccc([Si](OCC)(OCC)OCC)cc1.
What is the InChIKey of triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane?
The InChIKey is JRFWPVQLJJLYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4Si.C17H30O5Si.C16H28O5Si.C16H26O4Si.C15H24O4Si/c1-5-15-19-18-13-11-17(12-14-18)10-9-16-23(20-6-2,21-7-3)22-8-4;1-6-18-15(5)22-17-12-10-16(11-13-17)14-23(19-7-2,20-8-3)21-9-4;1-6-17-14(5)21-15-10-12-16(13-11-15)22(18-7-2,19-8-3)20-9-4;1-5-13-17-16-11-9-15(10-12-16)14-21(18-6-2,19-7-3)20-8-4;1-5-13-16-14-9-11-15(12-10-14)20(17-6-2,18-7-3)19-8-4/h5,11-14H,1,6-10,15-16H2,2-4H3;10-13,15H,6-9,14H2,1-5H3;10-14H,6-9H2,1-5H3;5,9-12H,1,6-8,13-14H2,2-4H3;5,9-12H,1,6-8,13H2,2-4H3.
What are the key properties of triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane?
triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane has a molecular weight of 1616.41 g/mol, XLogP of 16.40, 57 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[[4-(1-ethoxyethoxy)phenyl]methyl]silane;triethoxy-[4-(1-ethoxyethoxy)phenyl]silane;triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane is sourced from PubChem (CID 159000118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).