benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate

C138H230O11Si3 — CID 158479894

About benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate

benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate (PubChem CID 158479894) has the molecular formula C138H230O11Si3 and a molecular weight of 2149.60 g/mol. Its IUPAC name is benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate.

Molecular Properties

• Compound Name: benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate
• PubChem CID: 158479894
• Molecular Formula: C138H230O11Si3
• Molecular Weight: 2149.60 g/mol
• Exact Mass: 2147.67
• IUPAC Name: benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate
• SMILES: C=CCCC(C)C.C=CCOC(=O)C(C)C.CC(=O)C(C)C.CC(C)C.CC(C)C(=O)OC(C)(C)C.CC(C)C(=O)OC1c2ccccc2-c2ccccc21.CC(C)C(=O)OCC[Si](C)(C)C.CC(C)C(=O)OCc1ccccc1.CC(C)C(C)(C)C.CC(C)C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)Cc1ccccc1.CC(C)[Si](C)(C)C(C)(C)C.CCC(C)C.C[SiH](C)C(C)(C)C.Cc1ccc(CC(C)C)cc1
• InChI: InChI=1S/C22H22.C17H16O2.C11H14O2.C11H16.C10H14.C9H20O2Si.C9H22Si.C8H16O2.C7H12O2.C7H16.C7H14.C6H16Si.C5H10O.C5H12.C4H10/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-11(2)17(18)19-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9(10)11-6-7-12(3,4)5;1-8(2)10(6,7)9(3,4)5;1-6(2)7(9)10-8(3,4)5;1-4-5-9-7(8)6(2)3;1-6(2)7(3,4)5;1-4-5-6-7(2)3;1-6(2,3)7(4)5;1-4(2)5(3)6;1-4-5(2)3;1-4(2)3/h3-18H,1-2H3;3-11,16H,1-2H3;3-7,9H,8H2,1-2H3;4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;8H,6-7H2,1-5H3;8H,1-7H3;6H,1-5H3;4,6H,1,5H2,2-3H3;6H,1-5H3;4,7H,1,5-6H2,2-3H3;7H,1-5H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3
• InChIKey: HHJWQHGEFARXOM-UHFFFAOYSA-N
• XLogP: 40.40
• TPSA: 148.57 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.60
LogP ≤ 5	40.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate?

The IUPAC name of benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate (CID 158479894) is benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate.

What is the SMILES notation for benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate?

The canonical SMILES for benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate is C=CCCC(C)C.C=CCOC(=O)C(C)C.CC(=O)C(C)C.CC(C)C.CC(C)C(=O)OC(C)(C)C.CC(C)C(=O)OC1c2ccccc2-c2ccccc21.CC(C)C(=O)OCC[Si](C)(C)C.CC(C)C(=O)OCc1ccccc1.CC(C)C(C)(C)C.CC(C)C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)Cc1ccccc1.CC(C)[Si](C)(C)C(C)(C)C.CCC(C)C.C[SiH](C)C(C)(C)C.Cc1ccc(CC(C)C)cc1.

What is the InChIKey of benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate?

The InChIKey is HHJWQHGEFARXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22.C17H16O2.C11H14O2.C11H16.C10H14.C9H20O2Si.C9H22Si.C8H16O2.C7H12O2.C7H16.C7H14.C6H16Si.C5H10O.C5H12.C4H10/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-11(2)17(18)19-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9(10)11-6-7-12(3,4)5;1-8(2)10(6,7)9(3,4)5;1-6(2)7(9)10-8(3,4)5;1-4-5-9-7(8)6(2)3;1-6(2)7(3,4)5;1-4-5-6-7(2)3;1-6(2,3)7(4)5;1-4(2)5(3)6;1-4-5(2)3;1-4(2)3/h3-18H,1-2H3;3-11,16H,1-2H3;3-7,9H,8H2,1-2H3;4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;8H,6-7H2,1-5H3;8H,1-7H3;6H,1-5H3;4,6H,1,5H2,2-3H3;6H,1-5H3;4,7H,1,5-6H2,2-3H3;7H,1-5H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3.

What are the key properties of benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate?

benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate has a molecular weight of 2149.60 g/mol, XLogP of 40.40, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl(dimethyl)silane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;5-methylhex-1-ene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate is sourced from PubChem (CID 158479894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).