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

C49H80O12Si3 — CID 158445572

IUPACtriethoxy-[(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
InChIInChI=1S/C18H30O4Si.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;1-5-13-17-16-11-9-15(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;5,9-12H,1,6-8,13-14H2,2-4H3;5,9-12H,1,6-8,13H2,2-4H3
InChIKeyHDISADRKSGUTEB-UHFFFAOYSA-N
MW945.42 g/mol
LogP10.12
Rot. Bonds34

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

triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane (PubChem CID 158445572) has the molecular formula C49H80O12Si3 and a molecular weight of 945.42 g/mol. Its IUPAC name is 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-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane
PubChem CID158445572
Molecular FormulaC49H80O12Si3
Molecular Weight945.42 g/mol
Exact Mass944.50
IUPAC Nametriethoxy-[(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
InChIInChI=1S/C18H30O4Si.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;1-5-13-17-16-11-9-15(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;5,9-12H,1,6-8,13-14H2,2-4H3;5,9-12H,1,6-8,13H2,2-4H3
InChIKeyHDISADRKSGUTEB-UHFFFAOYSA-N
XLogP10.12
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.42
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane (CID 158445572) is 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-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-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.
What is the InChIKey of triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane?
The InChIKey is HDISADRKSGUTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4Si.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;1-5-13-17-16-11-9-15(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;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-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)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 945.42 g/mol, XLogP of 10.12, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 158445572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).