triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane

C54H94O9Si2 — CID 139758917

IUPACtriethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane
SMILESCCO[Si](CCCc1cccc(Oc2cccc(CCC[Si](OCC)(OCC)OCC)c2CCCCCCCCCCC2CO2)c1CCCCCCCCCCC1CO1)(OCC)OCC
InChIInChI=1S/C54H94O9Si2/c1-7-57-64(58-8-2,59-9-3)43-31-35-47-33-29-41-53(51(47)39-27-23-19-15-13-17-21-25-37-49-45-55-49)63-54-42-30-34-48(36-32-44-65(60-10-4,61-11-5)62-12-6)52(54)40-28-24-20-16-14-18-22-26-38-50-46-56-50/h29-30,33-34,41-42,49-50H,7-28,31-32,35-40,43-46H2,1-6H3
InChIKeyVRCZWXNGVUABGS-UHFFFAOYSA-N
MW943.51 g/mol
LogP14.35
Rot. Bonds44

About triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane

triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane (PubChem CID 139758917) has the molecular formula C54H94O9Si2 and a molecular weight of 943.51 g/mol. Its IUPAC name is triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane
PubChem CID139758917
Molecular FormulaC54H94O9Si2
Molecular Weight943.51 g/mol
Exact Mass942.64
IUPAC Nametriethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane
SMILESCCO[Si](CCCc1cccc(Oc2cccc(CCC[Si](OCC)(OCC)OCC)c2CCCCCCCCCCC2CO2)c1CCCCCCCCCCC1CO1)(OCC)OCC
InChIInChI=1S/C54H94O9Si2/c1-7-57-64(58-8-2,59-9-3)43-31-35-47-33-29-41-53(51(47)39-27-23-19-15-13-17-21-25-37-49-45-55-49)63-54-42-30-34-48(36-32-44-65(60-10-4,61-11-5)62-12-6)52(54)40-28-24-20-16-14-18-22-26-38-50-46-56-50/h29-30,33-34,41-42,49-50H,7-28,31-32,35-40,43-46H2,1-6H3
InChIKeyVRCZWXNGVUABGS-UHFFFAOYSA-N
XLogP14.35
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds44
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.51
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane with MolForge

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Related Compounds

2,3-bis(3-triethoxysilylpropyl)aniline
CID 69038548
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
2-[(2,3-dibutylphenoxy)methyl]oxirane
CID 154323434
trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 151603348
triethoxy-[3-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propyl]silane
CID 90233850
trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
CID 99865005
2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
CID 90120995
10-(1,3-dioxan-2-yl)decyl-triethoxysilane
CID 121235674
1-(2-decoxyethyl)-3-[3-(2-decoxyethyl)-2-pentylphenoxy]-2-pentylbenzene
CID 139978430
2-[2,3-di(nonyl)phenyl]oxirane
CID 175147820
1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88512513
[dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 22168337

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane?
The IUPAC name of triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane (CID 139758917) is triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane?
The canonical SMILES for triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane is CCO[Si](CCCc1cccc(Oc2cccc(CCC[Si](OCC)(OCC)OCC)c2CCCCCCCCCCC2CO2)c1CCCCCCCCCCC1CO1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane?
The InChIKey is VRCZWXNGVUABGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H94O9Si2/c1-7-57-64(58-8-2,59-9-3)43-31-35-47-33-29-41-53(51(47)39-27-23-19-15-13-17-21-25-37-49-45-55-49)63-54-42-30-34-48(36-32-44-65(60-10-4,61-11-5)62-12-6)52(54)40-28-24-20-16-14-18-22-26-38-50-46-56-50/h29-30,33-34,41-42,49-50H,7-28,31-32,35-40,43-46H2,1-6H3.
What are the key properties of triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane?
triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane has a molecular weight of 943.51 g/mol, XLogP of 14.35, 44 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane is sourced from PubChem (CID 139758917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).