bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane

C151H257F5O21Si9 — CID 160721017

IUPACbis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane
SMILESCC(C)(C)OC(=O)c1ccccc1.CC(C)(C)OC(=O)c1ccccc1.CC1(OC(=O)c2ccccc2)CC2CCC1C2.CC1(OC(=O)c2ccccc2)CC2CCC1C2.CC1(OC(=O)c2ccccc2)CCCC1.CC1(OC(=O)c2ccccc2)CCCC1.CC1(OC(=O)c2ccccc2)CCCCC1.CCC(C)(C)OC(=O)c1ccccc1.CCC(C)(C)OC(=O)c1ccccc1.CCC[SiH3].CCC[SiH3].CCC[SiH3].CCC[SiH3].CCC[SiH3].CCC[SiH3].CF.CF.CF.CF.CF.COCCC[SiH3].COCCC[SiH3].COCCC[SiH3]
InChIInChI=1S/2C15H18O2.C14H18O2.2C13H16O2.2C12H16O2.2C11H14O2.3C4H12OSi.6C3H10Si.5CH3F/c2*1-15(10-11-7-8-13(15)9-11)17-14(16)12-5-3-2-4-6-12;1-14(10-6-3-7-11-14)16-13(15)12-8-4-2-5-9-12;2*1-13(9-5-6-10-13)15-12(14)11-7-3-2-4-8-11;2*1-4-12(2,3)14-11(13)10-8-6-5-7-9-10;2*1-11(2,3)13-10(12)9-7-5-4-6-8-9;3*1-5-3-2-4-6;6*1-2-3-4;5*1-2/h2*2-6,11,13H,7-10H2,1H3;2,4-5,8-9H,3,6-7,10-11H2,1H3;2*2-4,7-8H,5-6,9-10H2,1H3;2*5-9H,4H2,1-3H3;2*4-8H,1-3H3;3*2-4H2,1,6H3;6*2-3H2,1,4H3;5*1H3
InChIKeyRTCIDYGVOFMLQX-UHFFFAOYSA-N
MW2756.46 g/mol
LogP31.54
Rot. Bonds33

About bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane

bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane (PubChem CID 160721017) has the molecular formula C151H257F5O21Si9 and a molecular weight of 2756.46 g/mol. Its IUPAC name is bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane.

Molecular Properties

Compound Namebis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane
PubChem CID160721017
Molecular FormulaC151H257F5O21Si9
Molecular Weight2756.46 g/mol
Exact Mass2753.69
IUPAC Namebis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane
SMILESCC(C)(C)OC(=O)c1ccccc1.CC(C)(C)OC(=O)c1ccccc1.CC1(OC(=O)c2ccccc2)CC2CCC1C2.CC1(OC(=O)c2ccccc2)CC2CCC1C2.CC1(OC(=O)c2ccccc2)CCCC1.CC1(OC(=O)c2ccccc2)CCCC1.CC1(OC(=O)c2ccccc2)CCCCC1.CCC(C)(C)OC(=O)c1ccccc1.CCC(C)(C)OC(=O)c1ccccc1.CCC[SiH3].CCC[SiH3].CCC[SiH3].CCC[SiH3].CCC[SiH3].CCC[SiH3].CF.CF.CF.CF.CF.COCCC[SiH3].COCCC[SiH3].COCCC[SiH3]
InChIInChI=1S/2C15H18O2.C14H18O2.2C13H16O2.2C12H16O2.2C11H14O2.3C4H12OSi.6C3H10Si.5CH3F/c2*1-15(10-11-7-8-13(15)9-11)17-14(16)12-5-3-2-4-6-12;1-14(10-6-3-7-11-14)16-13(15)12-8-4-2-5-9-12;2*1-13(9-5-6-10-13)15-12(14)11-7-3-2-4-8-11;2*1-4-12(2,3)14-11(13)10-8-6-5-7-9-10;2*1-11(2,3)13-10(12)9-7-5-4-6-8-9;3*1-5-3-2-4-6;6*1-2-3-4;5*1-2/h2*2-6,11,13H,7-10H2,1H3;2,4-5,8-9H,3,6-7,10-11H2,1H3;2*2-4,7-8H,5-6,9-10H2,1H3;2*5-9H,4H2,1-3H3;2*4-8H,1-3H3;3*2-4H2,1,6H3;6*2-3H2,1,4H3;5*1H3
InChIKeyRTCIDYGVOFMLQX-UHFFFAOYSA-N
XLogP31.54
TPSA264.39 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002756.46
LogP ≤ 531.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane with MolForge

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Related Compounds

CID 157246996
CID 157246996
tert-butyl benzoate;tert-butyl cyclohexanecarboxylate;pentakis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;2-methylbutan-2-yl benzoate;2-methylbutan-2-yl cyclohexanecarboxylate;(1-methylcyclohexyl) benzoate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclopentyl) benzoate;(1-methylcyclopentyl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;methylsilane;propylsilane
CID 158218417
bis(tert-butyl cyclohexanecarboxylate);bis(3-methoxypropylsilane);(2-methyl-2-bicyclo[2.2.1]heptanyl) cyclohexanecarboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 7-oxabicyclo[2.2.1]heptane-2-carboxylate;bis(2-methylbutan-2-yl cyclohexanecarboxylate);2-methylbutan-2-yl 7-oxabicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) cyclohexanecarboxylate;(1-methylcyclohexyl) 7-oxabicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) cyclohexanecarboxylate;(1-methylcyclopentyl) 7-oxabicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) cyclohexanecarboxylate;(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl) 7-oxabicyclo[2.2.1]heptane-2-carboxylate;methylsilane;propylsilane
CID 159280747
tert-butyl 3-butan-2-ylbenzoate;2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate;2-cyclopentylpropan-2-yl 3-butan-2-ylbenzoate;(1-ethylcyclohexyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 3-butan-2-ylbenzoate;2-methylbutan-2-yl 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate
CID 160673572
[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl] 4-[4-[[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]oxycarbonyl]phenyl]benzoate
CID 91269262
tert-butyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate;ditert-butyl bicyclo[2.2.1]heptane-2,3-dicarboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate;2-methylbutan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-methylbutan-2-yl 7-oxabicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 7-oxabicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 7-oxabicyclo[2.2.1]heptane-2-carboxylate;methylsilane
CID 159357290
(1-methylcyclopropyl) benzoate
CID 14416714
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
(1,2-dimethylcyclohexyl) benzoate
CID 67593313
2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate
CID 162196008
CID 162139404
CID 162139404
2-methyl-2-phenoxybicyclo[2.2.1]heptane
CID 71174803

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane?
The IUPAC name of bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane (CID 160721017) is bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane.
What is the SMILES notation for bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane?
The canonical SMILES for bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane is CC(C)(C)OC(=O)c1ccccc1.CC(C)(C)OC(=O)c1ccccc1.CC1(OC(=O)c2ccccc2)CC2CCC1C2.CC1(OC(=O)c2ccccc2)CC2CCC1C2.CC1(OC(=O)c2ccccc2)CCCC1.CC1(OC(=O)c2ccccc2)CCCC1.CC1(OC(=O)c2ccccc2)CCCCC1.CCC(C)(C)OC(=O)c1ccccc1.CCC(C)(C)OC(=O)c1ccccc1.CCC[SiH3].CCC[SiH3].CCC[SiH3].CCC[SiH3].CCC[SiH3].CCC[SiH3].CF.CF.CF.CF.CF.COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].
What is the InChIKey of bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane?
The InChIKey is RTCIDYGVOFMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18O2.C14H18O2.2C13H16O2.2C12H16O2.2C11H14O2.3C4H12OSi.6C3H10Si.5CH3F/c2*1-15(10-11-7-8-13(15)9-11)17-14(16)12-5-3-2-4-6-12;1-14(10-6-3-7-11-14)16-13(15)12-8-4-2-5-9-12;2*1-13(9-5-6-10-13)15-12(14)11-7-3-2-4-8-11;2*1-4-12(2,3)14-11(13)10-8-6-5-7-9-10;2*1-11(2,3)13-10(12)9-7-5-4-6-8-9;3*1-5-3-2-4-6;6*1-2-3-4;5*1-2/h2*2-6,11,13H,7-10H2,1H3;2,4-5,8-9H,3,6-7,10-11H2,1H3;2*2-4,7-8H,5-6,9-10H2,1H3;2*5-9H,4H2,1-3H3;2*4-8H,1-3H3;3*2-4H2,1,6H3;6*2-3H2,1,4H3;5*1H3.
What are the key properties of bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane?
bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane has a molecular weight of 2756.46 g/mol, XLogP of 31.54, 33 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl benzoate);fluoromethane;tris(3-methoxypropylsilane);bis((2-methyl-2-bicyclo[2.2.1]heptanyl) benzoate);bis(2-methylbutan-2-yl benzoate);(1-methylcyclohexyl) benzoate;bis((1-methylcyclopentyl) benzoate);propylsilane is sourced from PubChem (CID 160721017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).