2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate

C140H294O27Si11 — CID 161321710

About 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate

2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate (PubChem CID 161321710) has the molecular formula C140H294O27Si11 and a molecular weight of 2718.81 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate.

Molecular Properties

• Compound Name: 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate
• PubChem CID: 161321710
• Molecular Formula: C140H294O27Si11
• Molecular Weight: 2718.81 g/mol
• Exact Mass: 2715.91
• IUPAC Name: 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate
• SMILES: CC(C)(C)OC(=O)OCC1CC2CCC1C2.CC(C)(C)OC(=O)OCC1CC2CCC1O2.CC(C)(C)OC(=O)OCCC[SiH3].CC(C)(C)OC1CCCCC1.CC(C)(C)Oc1ccc(C(=O)OCCC[SiH3])cc1.CC1(OC2CCCC(CC[SiH3])C2)CCCC1.CC1(OC2CCCCC2)CCCC1.CCC(C)(C)OC1CCCCC1.CCOC(C)OCC1CC2CCC1C2.CCOC(C)OCC1CC2CCC1O2.CCOC(C)OCCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3]
• InChI: InChI=1S/C14H22O3Si.C14H28OSi.C13H22O3.C12H20O4.C12H22O2.C12H22O.C11H20O3.C11H22O.C10H20O.C8H18O3Si.C7H18O2Si.3C4H12OSi.4CH6Si/c1-14(2,3)17-12-7-5-11(6-8-12)13(15)16-9-4-10-18;1-14(8-2-3-9-14)15-13-6-4-5-12(11-13)7-10-16;1-13(2,3)16-12(14)15-8-11-7-9-4-5-10(11)6-9;1-12(2,3)16-11(13)14-7-8-6-9-4-5-10(8)15-9;1-3-13-9(2)14-8-12-7-10-4-5-11(12)6-10;1-12(9-5-6-10-12)13-11-7-3-2-4-8-11;1-3-12-8(2)13-7-9-6-10-4-5-11(9)14-10;1-4-11(2,3)12-10-8-6-5-7-9-10;1-10(2,3)11-9-7-5-4-6-8-9;1-8(2,3)11-7(9)10-5-4-6-12;1-3-8-7(2)9-5-4-6-10;3*1-5-3-2-4-6;4*1-2/h5-8H,4,9-10H2,1-3,18H3;12-13H,2-11H2,1,16H3;9-11H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;9-12H,3-8H2,1-2H3;11H,2-10H2,1H3;8-11H,3-7H2,1-2H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;4-6H2,1-3,12H3;7H,3-6H2,1-2,10H3;3*2-4H2,1,6H3;4*1-2H3
• InChIKey: VKFPHAMBWBJDLF-UHFFFAOYSA-N
• XLogP: 24.93
• TPSA: 280.57 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 47
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2718.81
LogP ≤ 5	24.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate?

The IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate (CID 161321710) is 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate.

What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate?

The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate is CC(C)(C)OC(=O)OCC1CC2CCC1C2.CC(C)(C)OC(=O)OCC1CC2CCC1O2.CC(C)(C)OC(=O)OCCC[SiH3].CC(C)(C)OC1CCCCC1.CC(C)(C)Oc1ccc(C(=O)OCCC[SiH3])cc1.CC1(OC2CCCC(CC[SiH3])C2)CCCC1.CC1(OC2CCCCC2)CCCC1.CCC(C)(C)OC1CCCCC1.CCOC(C)OCC1CC2CCC1C2.CCOC(C)OCC1CC2CCC1O2.CCOC(C)OCCC[SiH3].COCCC[SiH3].COCCC[SiH3].COCCC[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].

What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate?

The InChIKey is VKFPHAMBWBJDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si.C14H28OSi.C13H22O3.C12H20O4.C12H22O2.C12H22O.C11H20O3.C11H22O.C10H20O.C8H18O3Si.C7H18O2Si.3C4H12OSi.4CH6Si/c1-14(2,3)17-12-7-5-11(6-8-12)13(15)16-9-4-10-18;1-14(8-2-3-9-14)15-13-6-4-5-12(11-13)7-10-16;1-13(2,3)16-12(14)15-8-11-7-9-4-5-10(11)6-9;1-12(2,3)16-11(13)14-7-8-6-9-4-5-10(8)15-9;1-3-13-9(2)14-8-12-7-10-4-5-11(12)6-10;1-12(9-5-6-10-12)13-11-7-3-2-4-8-11;1-3-12-8(2)13-7-9-6-10-4-5-11(9)14-10;1-4-11(2,3)12-10-8-6-5-7-9-10;1-10(2,3)11-9-7-5-4-6-8-9;1-8(2,3)11-7(9)10-5-4-6-12;1-3-8-7(2)9-5-4-6-10;3*1-5-3-2-4-6;4*1-2/h5-8H,4,9-10H2,1-3,18H3;12-13H,2-11H2,1,16H3;9-11H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;9-12H,3-8H2,1-2H3;11H,2-10H2,1H3;8-11H,3-7H2,1-2H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;4-6H2,1-3,12H3;7H,3-6H2,1-2,10H3;3*2-4H2,1,6H3;4*1-2H3.

What are the key properties of 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate?

2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate has a molecular weight of 2718.81 g/mol, XLogP of 24.93, 47 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bicyclo[2.2.1]heptanylmethyl tert-butyl carbonate;tert-butyl 7-oxabicyclo[2.2.1]heptan-2-ylmethyl carbonate;tert-butyl 3-silylpropyl carbonate;2-(1-ethoxyethoxymethyl)bicyclo[2.2.1]heptane;2-(1-ethoxyethoxymethyl)-7-oxabicyclo[2.2.1]heptane;3-(1-ethoxyethoxy)propylsilane;tris(3-methoxypropylsilane);2-methylbutan-2-yloxycyclohexane;(1-methylcyclopentyl)oxycyclohexane;2-[3-(1-methylcyclopentyl)oxycyclohexyl]ethylsilane;(2-methylpropan-2-yl)oxycyclohexane;methylsilane;3-silylpropyl 4-[(2-methylpropan-2-yl)oxy]benzoate is sourced from PubChem (CID 161321710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).