benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate

C139H231BO13Si2 — CID 160841339

About benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate

benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate (PubChem CID 160841339) has the molecular formula C139H231BO13Si2 and a molecular weight of 2177.35 g/mol. Its IUPAC name is benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate.

Molecular Properties

• Compound Name: benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate
• PubChem CID: 160841339
• Molecular Formula: C139H231BO13Si2
• Molecular Weight: 2177.35 g/mol
• Exact Mass: 2175.70
• IUPAC Name: benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate
• SMILES: C.C.C=CCC(C)(C)C.C=CCOC(=O)C(C)(C)C.CB=O.CC(=O)C(C)(C)C.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(C)(C)C.CC(C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)Cc1ccc(CO)cc1.CC(C)(C)Cc1ccccc1.CC(C)(C)OC(=O)C(C)(C)C.CC(C)C.CC(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)C(=O)OCC[Si](C)(C)C.CC(C)[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H24.C18H18O2.C12H16O2.C12H18O.C11H16.C9H20O2Si.C9H18O2.C9H22Si.C8H14O2.C8H18.C7H14.C6H12O.C4H10.CH3BO.2CH4/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-12(2)18(19)20-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-12(2,3)8-10-4-6-11(9-13)7-5-10;1-11(2,3)9-10-7-5-4-6-8-10;1-8(2)9(10)11-6-7-12(3,4)5;1-8(2,3)7(10)11-9(4,5)6;1-8(2)10(6,7)9(3,4)5;1-5-6-10-7(9)8(2,3)4;1-7(2,3)8(4,5)6;1-5-6-7(2,3)4;1-5(7)6(2,3)4;1-4(2)3;1-2-3;;/h4-18H,1-3H3;3-10,12,17H,11H2,1-2H3;4-8H,9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-8H,9H2,1-3H3;8H,6-7H2,1-5H3;1-6H3;8H,1-7H3;5H,1,6H2,2-4H3;1-6H3;5H,1,6H2,2-4H3;1-4H3;4H,1-3H3;1H3;2*1H4
• InChIKey: SIBNCGIRSAPUMV-UHFFFAOYSA-N
• XLogP: 39.78
• TPSA: 185.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.35
LogP ≤ 5	39.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate?

The IUPAC name of benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate (CID 160841339) is benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate.

What is the SMILES notation for benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate?

The canonical SMILES for benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate is C.C.C=CCC(C)(C)C.C=CCOC(=O)C(C)(C)C.CB=O.CC(=O)C(C)(C)C.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(C)(C)C.CC(C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)Cc1ccc(CO)cc1.CC(C)(C)Cc1ccccc1.CC(C)(C)OC(=O)C(C)(C)C.CC(C)C.CC(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)C(=O)OCC[Si](C)(C)C.CC(C)[Si](C)(C)C(C)(C)C.

What is the InChIKey of benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate?

The InChIKey is SIBNCGIRSAPUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24.C18H18O2.C12H16O2.C12H18O.C11H16.C9H20O2Si.C9H18O2.C9H22Si.C8H14O2.C8H18.C7H14.C6H12O.C4H10.CH3BO.2CH4/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-12(2)18(19)20-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-12(2,3)8-10-4-6-11(9-13)7-5-10;1-11(2,3)9-10-7-5-4-6-8-10;1-8(2)9(10)11-6-7-12(3,4)5;1-8(2,3)7(10)11-9(4,5)6;1-8(2)10(6,7)9(3,4)5;1-5-6-10-7(9)8(2,3)4;1-7(2,3)8(4,5)6;1-5-6-7(2,3)4;1-5(7)6(2,3)4;1-4(2)3;1-2-3;;/h4-18H,1-3H3;3-10,12,17H,11H2,1-2H3;4-8H,9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-8H,9H2,1-3H3;8H,6-7H2,1-5H3;1-6H3;8H,1-7H3;5H,1,6H2,2-4H3;1-6H3;5H,1,6H2,2-4H3;1-4H3;4H,1-3H3;1H3;2*1H4.

What are the key properties of benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate?

benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate has a molecular weight of 2177.35 g/mol, XLogP of 39.78, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;[4-(2,2-dimethylpropyl)phenyl]methanol;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;methyl(oxo)borane;2-methylpropane;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate is sourced from PubChem (CID 160841339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).