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

C134H254O24Si9 — CID 159357290

About 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

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 (PubChem CID 159357290) has the molecular formula C134H254O24Si9 and a molecular weight of 2502.26 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159357290
• Molecular Formula: C134H254O24Si9
• Molecular Weight: 2502.26 g/mol
• Exact Mass: 2499.66
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)C1C2CCC(C2)C1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)C1CC2CCC1O2.CC1(OC(=O)C2CC3CCC2C3)CC2CCC1C2.CC1(OC(=O)C2CC3CCC2C3)CCCC1.CC1(OC(=O)C2CC3CCC2C3)CCCCC1.CC1(OC(=O)C2CC3CCC2O3)CCCC1.CC1(OC(=O)C2CC3CCC2O3)CCCCC1.CCC(C)(C)OC(=O)C1CC2CCC1C2.CCC(C)(C)OC(=O)C1CC2CCC1O2.C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3]
• InChI: InChI=1S/C17H28O4.C16H24O2.C15H24O2.C14H22O3.C14H22O2.C13H20O3.C13H22O2.C12H20O3.C11H18O3.9CH6Si/c1-16(2,3)20-14(18)12-10-7-8-11(9-10)13(12)15(19)21-17(4,5)6;1-16(9-11-3-5-13(16)7-11)18-15(17)14-8-10-2-4-12(14)6-10;1-15(7-3-2-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11;1-14(7-3-2-4-8-14)17-13(15)11-9-10-5-6-12(11)16-10;1-14(6-2-3-7-14)16-13(15)12-9-10-4-5-11(12)8-10;1-13(6-2-3-7-13)16-12(14)10-8-9-4-5-11(10)15-9;1-4-13(2,3)15-12(14)11-8-9-5-6-10(11)7-9;1-4-12(2,3)15-11(13)9-7-8-5-6-10(9)14-8;1-11(2,3)14-10(12)8-6-7-4-5-9(8)13-7;9*1-2/h10-13H,7-9H2,1-6H3;10-14H,2-9H2,1H3;11-13H,2-10H2,1H3;10-12H,2-9H2,1H3;10-12H,2-9H2,1H3;9-11H,2-8H2,1H3;9-11H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;9*1-2H3
• InChIKey: LIBWYOHXUNUNFP-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 299.92 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2502.26
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)C1C2CCC(C2)C1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)C1CC2CCC1O2.CC1(OC(=O)C2CC3CCC2C3)CC2CCC1C2.CC1(OC(=O)C2CC3CCC2C3)CCCC1.CC1(OC(=O)C2CC3CCC2C3)CCCCC1.CC1(OC(=O)C2CC3CCC2O3)CCCC1.CC1(OC(=O)C2CC3CCC2O3)CCCCC1.CCC(C)(C)OC(=O)C1CC2CCC1C2.CCC(C)(C)OC(=O)C1CC2CCC1O2.C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3].

What is the InChIKey of 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?

The InChIKey is LIBWYOHXUNUNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4.C16H24O2.C15H24O2.C14H22O3.C14H22O2.C13H20O3.C13H22O2.C12H20O3.C11H18O3.9CH6Si/c1-16(2,3)20-14(18)12-10-7-8-11(9-10)13(12)15(19)21-17(4,5)6;1-16(9-11-3-5-13(16)7-11)18-15(17)14-8-10-2-4-12(14)6-10;1-15(7-3-2-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11;1-14(7-3-2-4-8-14)17-13(15)11-9-10-5-6-12(11)16-10;1-14(6-2-3-7-14)16-13(15)12-9-10-4-5-11(12)8-10;1-13(6-2-3-7-13)16-12(14)10-8-9-4-5-11(10)15-9;1-4-13(2,3)15-12(14)11-8-9-5-6-10(11)7-9;1-4-12(2,3)15-11(13)9-7-8-5-6-10(9)14-8;1-11(2,3)14-10(12)8-6-7-4-5-9(8)13-7;9*1-2/h10-13H,7-9H2,1-6H3;10-14H,2-9H2,1H3;11-13H,2-10H2,1H3;10-12H,2-9H2,1H3;10-12H,2-9H2,1H3;9-11H,2-8H2,1H3;9-11H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;9*1-2H3.

What are the key properties of 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?

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 has a molecular weight of 2502.26 g/mol, XLogP of 21.05, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159357290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).