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

C136H264F12O14Si9 — CID 157121895

IUPACtert-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
SMILESCC(C)(C)OC(=O)Oc1ccccc1.CC(C)(C)Oc1ccccc1.CC(C)(C)Oc1ccccc1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCCC1.CCC(C)(C)OC.CCC(C)(C)Oc1ccccc1.CCC(C)(C)Oc1ccccc1.CCCC(C)(C)Oc1ccccc1.CCC[SiH3].CCC[SiH3].CCOC(C)Oc1ccccc1.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.COC(C)(C)C.C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3]
InChIInChI=1S/C13H18O.C12H16O.C12H18O.C11H14O3.2C11H16O.C10H14O2.2C10H14O.C6H14O.C5H12O.2C3H10Si.12CH3F.7CH6Si/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-12(9-5-6-10-12)13-11-7-3-2-4-8-11;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;2*1-10(2,3)11-9-7-5-4-6-8-9;1-5-6(2,3)7-4;1-5(2,3)6-4;2*1-2-3-4;19*1-2/h2,4-5,8-9H,3,6-7,10-11H2,1H3;2-4,7-8H,5-6,9-10H2,1H3;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;5H2,1-4H3;1-4H3;2*2-3H2,1,4H3;12*1H3;7*1-2H3
InChIKeyAIBKXFALSJXHKA-UHFFFAOYSA-N
MW2604.34 g/mol
LogP34.96
Rot. Bonds25

About 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

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 (PubChem CID 157121895) has the molecular formula C136H264F12O14Si9 and a molecular weight of 2604.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID157121895
Molecular FormulaC136H264F12O14Si9
Molecular Weight2604.34 g/mol
Exact Mass2601.77
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)Oc1ccccc1.CC(C)(C)Oc1ccccc1.CC(C)(C)Oc1ccccc1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCCC1.CCC(C)(C)OC.CCC(C)(C)Oc1ccccc1.CCC(C)(C)Oc1ccccc1.CCCC(C)(C)Oc1ccccc1.CCC[SiH3].CCC[SiH3].CCOC(C)Oc1ccccc1.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.COC(C)(C)C.C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3]
InChIInChI=1S/C13H18O.C12H16O.C12H18O.C11H14O3.2C11H16O.C10H14O2.2C10H14O.C6H14O.C5H12O.2C3H10Si.12CH3F.7CH6Si/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-12(9-5-6-10-12)13-11-7-3-2-4-8-11;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;2*1-10(2,3)11-9-7-5-4-6-8-9;1-5-6(2,3)7-4;1-5(2,3)6-4;2*1-2-3-4;19*1-2/h2,4-5,8-9H,3,6-7,10-11H2,1H3;2-4,7-8H,5-6,9-10H2,1H3;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;5H2,1-4H3;1-4H3;2*2-3H2,1,4H3;12*1H3;7*1-2H3
InChIKeyAIBKXFALSJXHKA-UHFFFAOYSA-N
XLogP34.96
TPSA137.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002604.34
LogP ≤ 534.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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 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 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-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
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
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;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
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-methyl-1-phenoxycycloheptane
CID 101026780
bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 159170843
[4-[1-[4-(2-methylbutan-2-yloxy)phenyl]cyclohexyl]phenyl] 2,2-dimethylpentanoate
CID 155003824
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)Oc1ccccc1.CC(C)(C)Oc1ccccc1.CC(C)(C)Oc1ccccc1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCCC1.CCC(C)(C)OC.CCC(C)(C)Oc1ccccc1.CCC(C)(C)Oc1ccccc1.CCCC(C)(C)Oc1ccccc1.CCC[SiH3].CCC[SiH3].CCOC(C)Oc1ccccc1.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.COC(C)(C)C.C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].
What is the InChIKey of 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?
The InChIKey is AIBKXFALSJXHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C12H16O.C12H18O.C11H14O3.2C11H16O.C10H14O2.2C10H14O.C6H14O.C5H12O.2C3H10Si.12CH3F.7CH6Si/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-12(9-5-6-10-12)13-11-7-3-2-4-8-11;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;2*1-10(2,3)11-9-7-5-4-6-8-9;1-5-6(2,3)7-4;1-5(2,3)6-4;2*1-2-3-4;19*1-2/h2,4-5,8-9H,3,6-7,10-11H2,1H3;2-4,7-8H,5-6,9-10H2,1H3;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;5H2,1-4H3;1-4H3;2*2-3H2,1,4H3;12*1H3;7*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2604.34 g/mol, XLogP of 34.96, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157121895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).