tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane

C163H314F16O15Si14 — CID 157323321

IUPACtert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane
SMILESCC(C)(C)OC(=O)Oc1ccccc1.CC(C)(C)Oc1ccccc1.CC(C)(C)[Si](C)(C)Oc1ccccc1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCCC1.CCC(C)(C)Oc1ccccc1.CCC(C)(C)Oc1ccccc1.CCCC(C)(C)Oc1ccccc1.CCCC(C)(C)Oc1ccccc1.CCOC(C)Oc1ccccc1.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[Si](C)(C)Oc1ccccc1
InChIInChI=1S/C13H18O.C12H20OSi.2C12H16O.2C12H18O.C11H14O3.2C11H16O.C10H14O2.C10H14O.C9H14OSi.16CH3F.12CH6Si/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;2*1-12(9-5-6-10-12)13-11-7-3-2-4-8-11;2*1-4-10-12(2,3)13-11-8-6-5-7-9-11;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;2*1-4-11(2,3)12-10-8-6-5-7-9-10;1-3-11-9(2)12-10-7-5-4-6-8-10;1-10(2,3)11-9-7-5-4-6-8-9;1-11(2,3)10-9-7-5-4-6-8-9;28*1-2/h2,4-5,8-9H,3,6-7,10-11H2,1H3;6-10H,1-5H3;2*2-4,7-8H,5-6,9-10H2,1H3;2*5-9H,4,10H2,1-3H3;4-8H,1-3H3;2*5-9H,4H2,1-3H3;4-9H,3H2,1-2H3;2*4-8H,1-3H3;16*1H3;12*1-2H3
InChIKeyBEKSAVDDBVNYHI-UHFFFAOYSA-N
MW3211.46 g/mol
LogP41.83
Rot. Bonds30

About tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane

tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane (PubChem CID 157323321) has the molecular formula C163H314F16O15Si14 and a molecular weight of 3211.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane
PubChem CID157323321
Molecular FormulaC163H314F16O15Si14
Molecular Weight3211.46 g/mol
Exact Mass3208.03
IUPAC Nametert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane
SMILESCC(C)(C)OC(=O)Oc1ccccc1.CC(C)(C)Oc1ccccc1.CC(C)(C)[Si](C)(C)Oc1ccccc1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCCC1.CCC(C)(C)Oc1ccccc1.CCC(C)(C)Oc1ccccc1.CCCC(C)(C)Oc1ccccc1.CCCC(C)(C)Oc1ccccc1.CCOC(C)Oc1ccccc1.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[Si](C)(C)Oc1ccccc1
InChIInChI=1S/C13H18O.C12H20OSi.2C12H16O.2C12H18O.C11H14O3.2C11H16O.C10H14O2.C10H14O.C9H14OSi.16CH3F.12CH6Si/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;2*1-12(9-5-6-10-12)13-11-7-3-2-4-8-11;2*1-4-10-12(2,3)13-11-8-6-5-7-9-11;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;2*1-4-11(2,3)12-10-8-6-5-7-9-10;1-3-11-9(2)12-10-7-5-4-6-8-10;1-10(2,3)11-9-7-5-4-6-8-9;1-11(2,3)10-9-7-5-4-6-8-9;28*1-2/h2,4-5,8-9H,3,6-7,10-11H2,1H3;6-10H,1-5H3;2*2-4,7-8H,5-6,9-10H2,1H3;2*5-9H,4,10H2,1-3H3;4-8H,1-3H3;2*5-9H,4H2,1-3H3;4-9H,3H2,1-2H3;2*4-8H,1-3H3;16*1H3;12*1-2H3
InChIKeyBEKSAVDDBVNYHI-UHFFFAOYSA-N
XLogP41.83
TPSA146.29 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003211.46
LogP ≤ 541.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane with MolForge

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Related Compounds

tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;tetrakis(3-methoxypropylsilane);2-methylbutan-2-yloxybenzene;(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);2-methylpentan-2-yloxybenzene;(2-methylpropan-2-yl)oxybenzene;methylsilane
CID 160831441
tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;2-methoxy-2-methylbutane;2-methoxy-2-methylpropane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;(1-methylcyclopentyl)oxybenzene;2-methylpentan-2-yloxybenzene;bis((2-methylpropan-2-yl)oxybenzene);methylsilane;propylsilane
CID 157121895
ethane;bis(2-methylbutan-2-yloxybenzene);bis((1-methylcyclohexyl)oxybenzene);bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane
CID 160587533
ethane;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;(1-methylcyclopentyl)oxybenzene;bis(2-methylpentan-2-yloxybenzene);bis((2-methylpropan-2-yl)oxybenzene);propylsilane
CID 161087764
2-methoxy-2-methylbutane;1-methoxy-1-methylcyclohexane;1-methoxy-1-methylcyclopentane;2-methoxy-2-methylpentane;2-methoxy-2-methylpropane;2-methylbutan-2-yloxybenzene;(1-methylcyclohexyl)oxybenzene;(1-methylcyclopentyl)oxybenzene;2-methylpentan-2-yloxybenzene;(2-methylpropan-2-yl)oxybenzene;methylsilane
CID 158652153
ethane;fluoromethane;bis(2-methoxy-2-methylbutane);bis(1-methoxy-1-methylcyclohexane);1-methoxy-1-methylcyclopentane;2-methoxy-2-methylpentane;bis(2-methoxy-2-methylpropane);bis(2-methylbutan-2-yloxybenzene);bis((1-methylcyclohexyl)oxybenzene);(1-methylcyclopentyl)oxybenzene;2-methylpentan-2-yloxybenzene;bis((2-methylpropan-2-yl)oxybenzene);methylsilane;propylsilane
CID 159861840
2-(1-adamantyl)propan-2-yl 2-methylbutanoate;butan-2-ylbenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenyl) tert-butyl carbonate;tris((2-methyl-2-adamantyl) 2-methylbutanoate);(1-methylcyclohexyl) 2-methylbutanoate
CID 159179051
[4-[1-[4-(2-methylpentan-2-yloxy)phenyl]cyclohexyl]phenyl] benzoate
CID 89026714
1-phenoxyethyl 3-(1-ethoxyethoxy)-2-methylidenebutaneperoxoate
CID 134561988
1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 158906861
1-butan-2-yl-4-(1-ethylcyclohexyl)oxybenzene;(4-butan-2-yl-2-methylphenyl) tert-butyl carbonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;1-butan-2-yl-4-(1-phenylethoxy)benzene;tert-butyl 2-(4-butan-2-yl-2-methylphenoxy)-2-methylbutanoate
CID 159199348
tert-butyl 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoate
CID 54137263

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane?
The IUPAC name of tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane (CID 157323321) is tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane is CC(C)(C)OC(=O)Oc1ccccc1.CC(C)(C)Oc1ccccc1.CC(C)(C)[Si](C)(C)Oc1ccccc1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCCC1.CCC(C)(C)Oc1ccccc1.CCC(C)(C)Oc1ccccc1.CCCC(C)(C)Oc1ccccc1.CCCC(C)(C)Oc1ccccc1.CCOC(C)Oc1ccccc1.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[Si](C)(C)Oc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane?
The InChIKey is BEKSAVDDBVNYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C12H20OSi.2C12H16O.2C12H18O.C11H14O3.2C11H16O.C10H14O2.C10H14O.C9H14OSi.16CH3F.12CH6Si/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;2*1-12(9-5-6-10-12)13-11-7-3-2-4-8-11;2*1-4-10-12(2,3)13-11-8-6-5-7-9-11;1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;2*1-4-11(2,3)12-10-8-6-5-7-9-10;1-3-11-9(2)12-10-7-5-4-6-8-10;1-10(2,3)11-9-7-5-4-6-8-9;1-11(2,3)10-9-7-5-4-6-8-9;28*1-2/h2,4-5,8-9H,3,6-7,10-11H2,1H3;6-10H,1-5H3;2*2-4,7-8H,5-6,9-10H2,1H3;2*5-9H,4,10H2,1-3H3;4-8H,1-3H3;2*5-9H,4H2,1-3H3;4-9H,3H2,1-2H3;2*4-8H,1-3H3;16*1H3;12*1-2H3.
What are the key properties of tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane?
tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane has a molecular weight of 3211.46 g/mol, XLogP of 41.83, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-phenoxysilane;tert-butyl phenyl carbonate;1-ethoxyethoxybenzene;fluoromethane;bis(2-methylbutan-2-yloxybenzene);(1-methylcyclohexyl)oxybenzene;bis((1-methylcyclopentyl)oxybenzene);bis(2-methylpentan-2-yloxybenzene);(2-methylpropan-2-yl)oxybenzene;methylsilane;trimethyl(phenoxy)silane is sourced from PubChem (CID 157323321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).