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

C143H238O12Si2 — CID 167667093

IUPACbenzyl 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
SMILESC=CCC(C)(C)C.C=CCOC(=O)C(C)(C)C.CC.CC(=O)C(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)OCC1c2ccccc2-c2ccccc21.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)OC(=O)C(C)(C)C.CC(C)(C)[Si](C)(C)C.CC(C)(C)c1ccccc1.CC(C)C(=O)OCC[Si](C)(C)C.CCC(C)(C)C
InChIInChI=1S/C23H24.C19H20O2.C12H16O2.C12H18O.C10H14.C9H20O2Si.C9H18O2.C8H14O2.C8H18.C7H18Si.C7H14.C6H12O.C6H14.C5H12.C2H6/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;1-19(2,3)18(20)21-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(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;1-10(2,3)9-7-5-4-6-8-9;1-8(2)9(10)11-6-7-12(3,4)5;1-8(2,3)7(10)11-9(4,5)6;1-5-6-10-7(9)8(2,3)4;2*1-7(2,3)8(4,5)6;1-5-6-7(2,3)4;1-5(7)6(2,3)4;1-5-6(2,3)4;1-5(2,3)4;1-2/h4-18H,1-3H3;4-11,17H,12H2,1-3H3;4-8H,9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-8H,1-3H3;8H,6-7H2,1-5H3;1-6H3;5H,1,6H2,2-4H3;2*1-6H3;5H,1,6H2,2-4H3;1-4H3;5H2,1-4H3;1-4H3;1-2H3
InChIKeySUIVSRVQOPFOFG-UHFFFAOYSA-N
MW2205.64 g/mol
LogP41.60
Rot. Bonds16

About 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

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 (PubChem CID 167667093) has the molecular formula C143H238O12Si2 and a molecular weight of 2205.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID167667093
Molecular FormulaC143H238O12Si2
Molecular Weight2205.64 g/mol
Exact Mass2203.76
IUPAC Namebenzyl 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
SMILESC=CCC(C)(C)C.C=CCOC(=O)C(C)(C)C.CC.CC(=O)C(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)OCC1c2ccccc2-c2ccccc21.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)OC(=O)C(C)(C)C.CC(C)(C)[Si](C)(C)C.CC(C)(C)c1ccccc1.CC(C)C(=O)OCC[Si](C)(C)C.CCC(C)(C)C
InChIInChI=1S/C23H24.C19H20O2.C12H16O2.C12H18O.C10H14.C9H20O2Si.C9H18O2.C8H14O2.C8H18.C7H18Si.C7H14.C6H12O.C6H14.C5H12.C2H6/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;1-19(2,3)18(20)21-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(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;1-10(2,3)9-7-5-4-6-8-9;1-8(2)9(10)11-6-7-12(3,4)5;1-8(2,3)7(10)11-9(4,5)6;1-5-6-10-7(9)8(2,3)4;2*1-7(2,3)8(4,5)6;1-5-6-7(2,3)4;1-5(7)6(2,3)4;1-5-6(2,3)4;1-5(2,3)4;1-2/h4-18H,1-3H3;4-11,17H,12H2,1-3H3;4-8H,9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-8H,1-3H3;8H,6-7H2,1-5H3;1-6H3;5H,1,6H2,2-4H3;2*1-6H3;5H,1,6H2,2-4H3;1-4H3;5H2,1-4H3;1-4H3;1-2H3
InChIKeySUIVSRVQOPFOFG-UHFFFAOYSA-N
XLogP41.60
TPSA168.80 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms157
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002205.64
LogP ≤ 541.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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 2,2-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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCC(C)(C)C.C=CCOC(=O)C(C)(C)C.CC.CC(=O)C(C)(C)C.CC(C)(C)C.CC(C)(C)C(=O)OCC1c2ccccc2-c2ccccc21.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)OC(=O)C(C)(C)C.CC(C)(C)[Si](C)(C)C.CC(C)(C)c1ccccc1.CC(C)C(=O)OCC[Si](C)(C)C.CCC(C)(C)C.
What is the InChIKey of 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?
The InChIKey is SUIVSRVQOPFOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24.C19H20O2.C12H16O2.C12H18O.C10H14.C9H20O2Si.C9H18O2.C8H14O2.C8H18.C7H18Si.C7H14.C6H12O.C6H14.C5H12.C2H6/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;1-19(2,3)18(20)21-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(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;1-10(2,3)9-7-5-4-6-8-9;1-8(2)9(10)11-6-7-12(3,4)5;1-8(2,3)7(10)11-9(4,5)6;1-5-6-10-7(9)8(2,3)4;2*1-7(2,3)8(4,5)6;1-5-6-7(2,3)4;1-5(7)6(2,3)4;1-5-6(2,3)4;1-5(2,3)4;1-2/h4-18H,1-3H3;4-11,17H,12H2,1-3H3;4-8H,9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-8H,1-3H3;8H,6-7H2,1-5H3;1-6H3;5H,1,6H2,2-4H3;2*1-6H3;5H,1,6H2,2-4H3;1-4H3;5H2,1-4H3;1-4H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2205.64 g/mol, XLogP of 41.60, 16 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167667093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).