tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol

C60H96O10Si3 — CID 160946413

IUPACtert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol
SMILESCC(C)(C)[Si](C)(C)OCC(=O)c1ccccc1.CC(C)(C)[Si](C)(C)OCC(O)c1ccccc1.CC(C)(C)[Si](C)(C)OCC(OC1CCCCO1)c1ccccc1.OCC(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C19H32O3Si.C14H24O2Si.C14H22O2Si.C13H18O3/c1-19(2,3)23(4,5)21-15-17(16-11-7-6-8-12-16)22-18-13-9-10-14-20-18;2*1-14(2,3)17(4,5)16-11-13(15)12-9-7-6-8-10-12;14-10-12(11-6-2-1-3-7-11)16-13-8-4-5-9-15-13/h6-8,11-12,17-18H,9-10,13-15H2,1-5H3;6-10,13,15H,11H2,1-5H3;6-10H,11H2,1-5H3;1-3,6-7,12-14H,4-5,8-10H2
InChIKeySVEDFDRBXLZTRQ-UHFFFAOYSA-N
MW1061.68 g/mol
LogP15.19
Rot. Bonds18

About tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol

tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol (PubChem CID 160946413) has the molecular formula C60H96O10Si3 and a molecular weight of 1061.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol
PubChem CID160946413
Molecular FormulaC60H96O10Si3
Molecular Weight1061.68 g/mol
Exact Mass1060.63
IUPAC Nametert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol
SMILESCC(C)(C)[Si](C)(C)OCC(=O)c1ccccc1.CC(C)(C)[Si](C)(C)OCC(O)c1ccccc1.CC(C)(C)[Si](C)(C)OCC(OC1CCCCO1)c1ccccc1.OCC(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C19H32O3Si.C14H24O2Si.C14H22O2Si.C13H18O3/c1-19(2,3)23(4,5)21-15-17(16-11-7-6-8-12-16)22-18-13-9-10-14-20-18;2*1-14(2,3)17(4,5)16-11-13(15)12-9-7-6-8-10-12;14-10-12(11-6-2-1-3-7-11)16-13-8-4-5-9-15-13/h6-8,11-12,17-18H,9-10,13-15H2,1-5H3;6-10,13,15H,11H2,1-5H3;6-10H,11H2,1-5H3;1-3,6-7,12-14H,4-5,8-10H2
InChIKeySVEDFDRBXLZTRQ-UHFFFAOYSA-N
XLogP15.19
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.68
LogP ≤ 515.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol?
The IUPAC name of tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol (CID 160946413) is tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol.
What is the SMILES notation for tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol?
The canonical SMILES for tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol is CC(C)(C)[Si](C)(C)OCC(=O)c1ccccc1.CC(C)(C)[Si](C)(C)OCC(O)c1ccccc1.CC(C)(C)[Si](C)(C)OCC(OC1CCCCO1)c1ccccc1.OCC(OC1CCCCO1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol?
The InChIKey is SVEDFDRBXLZTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3Si.C14H24O2Si.C14H22O2Si.C13H18O3/c1-19(2,3)23(4,5)21-15-17(16-11-7-6-8-12-16)22-18-13-9-10-14-20-18;2*1-14(2,3)17(4,5)16-11-13(15)12-9-7-6-8-10-12;14-10-12(11-6-2-1-3-7-11)16-13-8-4-5-9-15-13/h6-8,11-12,17-18H,9-10,13-15H2,1-5H3;6-10,13,15H,11H2,1-5H3;6-10H,11H2,1-5H3;1-3,6-7,12-14H,4-5,8-10H2.
What are the key properties of tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol?
tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol has a molecular weight of 1061.68 g/mol, XLogP of 15.19, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(oxan-2-yloxy)-2-phenylethoxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanol;2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanone;2-(oxan-2-yloxy)-2-phenylethanol is sourced from PubChem (CID 160946413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).