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

C131H212O11Si2 — CID 160654257

IUPACbenzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate
SMILESC=CCC(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.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C22H22.C17H16O2.C11H14O2.C11H16.C10H14.C9H20O2Si.C9H22Si.C8H16O2.C7H12O2.C7H16.C6H12.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(2)3;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;4,6H,1,5H2,2-3H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyRKVJGCLHFLWKSC-UHFFFAOYSA-N
MW2019.30 g/mol
LogP37.73
Rot. Bonds26

About benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;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 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate (PubChem CID 160654257) has the molecular formula C131H212O11Si2 and a molecular weight of 2019.30 g/mol. Its IUPAC name is benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate
PubChem CID160654257
Molecular FormulaC131H212O11Si2
Molecular Weight2019.30 g/mol
Exact Mass2017.56
IUPAC Namebenzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate
SMILESC=CCC(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.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C22H22.C17H16O2.C11H14O2.C11H16.C10H14.C9H20O2Si.C9H22Si.C8H16O2.C7H12O2.C7H16.C6H12.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(2)3;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;4,6H,1,5H2,2-3H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyRKVJGCLHFLWKSC-UHFFFAOYSA-N
XLogP37.73
TPSA148.57 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.30
LogP ≤ 537.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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'}

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

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Related Compounds

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
benzyl 2-methylpropanoate;dimethyl-(2-methylpropyl)-propan-2-ylsilane;2,4-dimethylpentane;9H-fluoren-9-ylmethyl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;4-methylpent-1-ene;bis(2-methylpropane);2-methylpropylbenzene;2-methylpropyl 2-methylpropanoate;[4-(2-methylpropyl)phenyl]methanol;prop-2-enyl 2-methylpropanoate;propyl 2-methylpropanoate
CID 157477780
benzyl formate;benzyl 2-methylpropanoate;ethane;9H-fluoren-9-ylmethyl formate;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;1-methoxy-4-methylbenzene;bis(2-methylbutane);3-methylbutan-2-one;4-methylpent-1-ene;bis(2-methylpropane);2-methylpropylbenzene;2-methylpropyl 2-methylpropanoate;[4-(2-methylpropyl)phenyl]methanol;prop-2-enyl 2-methylpropanoate;toluene;trimethyl(2-methylpropyl)silane
CID 158341338
benzyl 2-methylpropanoate;dimethyl-(2-methylpropyl)-propan-2-ylsilane;2,4-dimethylpentane;9H-fluoren-9-ylmethyl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;5-methylhexyl 2-methylpropanoate;4-methylpent-1-ene;bis(2-methylpropane);2-methylpropylbenzene;2-methylpropyl 2-methylpropanoate;[4-(2-methylpropyl)phenyl]methanol;prop-2-enyl 2-methylpropanoate
CID 161442028
benzyl 2-methylpropanoate;dimethyl-(2-methylpropyl)-propan-2-ylsilane;2,4-dimethylpentane;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;2-methylbutane;3-methylbutan-2-one;5-methylhexyl 2-methylpropanoate;4-methylpent-1-ene;bis(2-methylpropane);2-methylpropylbenzene;2-methylpropyl 2-methylpropanoate;[4-(2-methylpropyl)phenyl]methanol;prop-2-enyl 2-methylpropanoate
CID 159484850
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
benzyl 2-methylpropanoate;tert-butyl 2,2-dimethylpropanoate;9H-fluoren-9-ylmethyl 2-methylpropanoate;3-methylbutan-2-one;prop-2-enyl 2,2-dimethylpropanoate
CID 158425527
benzyl 2,2-dimethylpropanoate;tert-butylbenzene;tert-butyl 2,2-dimethylpropanoate;tert-butyl(trimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropane;[4-(2,2-dimethylpropyl)phenyl]methanol;ethane;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate
CID 167667093
benzyl 2-methylpropanoate;dimethyl-(2-methylpropyl)-propan-2-ylsilane;2,4-dimethylpentane;4,4-dimethylpent-1-ene;2,2-dimethylpropylbenzene;9H-fluoren-9-ylmethyl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;5-methylhexyl 2-methylpropanoate;2-methylpropane;2-methylpropyl 2-methylpropanoate;[4-(2-methylpropyl)phenyl]methanol;molecular hydrogen;9-octa-1,2,3,4,5,6,7-heptaenyl-10-propan-2-ylheptadeca-1,2,3,4,5,6,7,8,10,11,12,13,14,15,16-pentadecaene;prop-2-enyl 2-methylpropanoate
CID 160523205
benzyl acetate;but-1-ene;ethane;ethylbenzene;(4-ethylphenyl)methanol;9H-fluoren-9-ylmethyl acetate;2-methylbutane;2-methylpropyl acetate;propan-2-one;prop-2-enyl acetate;trimethyl(2-methylpropyl)silane;2-trimethylsilylethyl acetate
CID 160621617
benzyl 2-methylpropanoate;butyl 2-methylpropanoate;tert-butyl 2-methylpropanoate;2,3-dimethylbut-2-ene;ethenyl 2-methylpropanoate;ethyl 2-methylpropanoate;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;(2-nitrophenyl)methyl 2-methylpropanoate
CID 158282675
1-O-benzyl 4-O-prop-2-enyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-prop-2-enylbutanedioate
CID 59932699

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;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 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate (CID 160654257) is benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;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 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;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 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate is C=CCC(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.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of benzyl 2-methylpropanoate;tert-butyl-dimethyl-propan-2-ylsilane;tert-butyl 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate?
The InChIKey is RKVJGCLHFLWKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22.C17H16O2.C11H14O2.C11H16.C10H14.C9H20O2Si.C9H22Si.C8H16O2.C7H12O2.C7H16.C6H12.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(2)3;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;4,6H,1,5H2,2-3H3;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 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;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 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate has a molecular weight of 2019.30 g/mol, XLogP of 37.73, 26 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 2-methylpropanoate;9H-fluoren-9-yl 2-methylpropanoate;2-methylbutane;3-methylbutan-2-one;(2-methyl-1,1-diphenylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methylpent-1-ene;2-methylpropane;2-methylpropylbenzene;prop-2-enyl 2-methylpropanoate;2,2,3-trimethylbutane;2-trimethylsilylethyl 2-methylpropanoate is sourced from PubChem (CID 160654257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).