benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane

C43H93F3O7Si4 — CID 158896368

IUPACbenzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane
SMILESC.C.C.C.C.C.C.C.C=CC(=O)OCC.C=CC(=O)OCC.CC[Si](C)(C)O[SiH](C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)CC.c1ccccc1.c1ccccc1
InChIInChI=1S/C13H33F3O3Si4.2C6H6.2C5H8O2.8CH4/c1-9-21(4,5)17-20(3)18-23(8,12-11-13(14,15)16)19-22(6,7)10-2;2*1-2-4-6-5-3-1;2*1-3-5(6)7-4-2;;;;;;;;/h20H,9-12H2,1-8H3;2*1-6H;2*3H,1,4H2,2H3;8*1H4
InChIKeyJEWNLPPHHLVUSA-UHFFFAOYSA-N
MW891.55 g/mol
LogP15.29
Rot. Bonds14

About benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane

benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane (PubChem CID 158896368) has the molecular formula C43H93F3O7Si4 and a molecular weight of 891.55 g/mol. Its IUPAC name is benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane.

Molecular Properties

Compound Namebenzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane
PubChem CID158896368
Molecular FormulaC43H93F3O7Si4
Molecular Weight891.55 g/mol
Exact Mass890.60
IUPAC Namebenzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane
SMILESC.C.C.C.C.C.C.C.C=CC(=O)OCC.C=CC(=O)OCC.CC[Si](C)(C)O[SiH](C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)CC.c1ccccc1.c1ccccc1
InChIInChI=1S/C13H33F3O3Si4.2C6H6.2C5H8O2.8CH4/c1-9-21(4,5)17-20(3)18-23(8,12-11-13(14,15)16)19-22(6,7)10-2;2*1-2-4-6-5-3-1;2*1-3-5(6)7-4-2;;;;;;;;/h20H,9-12H2,1-8H3;2*1-6H;2*3H,1,4H2,2H3;8*1H4
InChIKeyJEWNLPPHHLVUSA-UHFFFAOYSA-N
XLogP15.29
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.55
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane?
The IUPAC name of benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane (CID 158896368) is benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane.
What is the SMILES notation for benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane?
The canonical SMILES for benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane is C.C.C.C.C.C.C.C.C=CC(=O)OCC.C=CC(=O)OCC.CC[Si](C)(C)O[SiH](C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)CC.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane?
The InChIKey is JEWNLPPHHLVUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33F3O3Si4.2C6H6.2C5H8O2.8CH4/c1-9-21(4,5)17-20(3)18-23(8,12-11-13(14,15)16)19-22(6,7)10-2;2*1-2-4-6-5-3-1;2*1-3-5(6)7-4-2;;;;;;;;/h20H,9-12H2,1-8H3;2*1-6H;2*3H,1,4H2,2H3;8*1H4.
What are the key properties of benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane?
benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane has a molecular weight of 891.55 g/mol, XLogP of 15.29, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl-[[[ethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilane;bis(ethyl prop-2-enoate);methane is sourced from PubChem (CID 158896368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).