triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane

C27H42O8Si2 — CID 177440251

IUPACtriethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)OCC(C)Oc1cc([Si](OCC)(OCC)OCC)ccc1-2
InChIInChI=1S/C27H42O8Si2/c1-8-29-36(30-9-2,31-10-3)22-14-16-24-25-17-15-23(37(32-11-4,33-12-5)34-13-6)19-27(25)35-21(7)20-28-26(24)18-22/h14-19,21H,8-13,20H2,1-7H3
InChIKeyADJPSACZTWVGSB-UHFFFAOYSA-N
MW550.80 g/mol
LogP4.02
Rot. Bonds14

About triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane

triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane (PubChem CID 177440251) has the molecular formula C27H42O8Si2 and a molecular weight of 550.80 g/mol. Its IUPAC name is triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane.

Molecular Properties

Compound Nametriethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane
PubChem CID177440251
Molecular FormulaC27H42O8Si2
Molecular Weight550.80 g/mol
Exact Mass550.24
IUPAC Nametriethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)OCC(C)Oc1cc([Si](OCC)(OCC)OCC)ccc1-2
InChIInChI=1S/C27H42O8Si2/c1-8-29-36(30-9-2,31-10-3)22-14-16-24-25-17-15-23(37(32-11-4,33-12-5)34-13-6)19-27(25)35-21(7)20-28-26(24)18-22/h14-19,21H,8-13,20H2,1-7H3
InChIKeyADJPSACZTWVGSB-UHFFFAOYSA-N
XLogP4.02
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.80
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane with MolForge

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Related Compounds

(4-tert-butylphenyl)-triethoxysilane
CID 146004905
triethoxy-(8-triethoxysilylthianthren-2-yl)silane
CID 71116866
1,3-benzodioxol-5-yl-ethoxy-dimethylsilane
CID 153484644
2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 23175924
ethane;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 144624453
triethoxy(phenanthren-3-yl)silane
CID 165394942
6-heptyl-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 59545571
(4-chloro-3-methoxyphenyl)-triethoxysilane
CID 146004927
triethoxy-(4-fluoro-3-methoxyphenyl)silane
CID 146005006
2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 134391362
(3-bromophenyl)-triethoxysilane
CID 68740419
3-methyl-2,3-dihydro-1,4-benzodioxepin-5-one
CID 135057032

Frequently Asked Questions

What is the IUPAC name of triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane?
The IUPAC name of triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane (CID 177440251) is triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane.
What is the SMILES notation for triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane?
The canonical SMILES for triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane is CCO[Si](OCC)(OCC)c1ccc2c(c1)OCC(C)Oc1cc([Si](OCC)(OCC)OCC)ccc1-2.
What is the InChIKey of triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane?
The InChIKey is ADJPSACZTWVGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O8Si2/c1-8-29-36(30-9-2,31-10-3)22-14-16-24-25-17-15-23(37(32-11-4,33-12-5)34-13-6)19-27(25)35-21(7)20-28-26(24)18-22/h14-19,21H,8-13,20H2,1-7H3.
What are the key properties of triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane?
triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane has a molecular weight of 550.80 g/mol, XLogP of 4.02, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(9-methyl-14-triethoxysilyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl)silane is sourced from PubChem (CID 177440251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).