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

C142H224O12Si — CID 160523205

About 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

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 (PubChem CID 160523205) has the molecular formula C142H224O12Si and a molecular weight of 2151.43 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160523205
• Molecular Formula: C142H224O12Si
• Molecular Weight: 2151.43 g/mol
• Exact Mass: 2149.67
• IUPAC Name: 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
• SMILES: C=C=C=C=C=C=C=C=C(C=C=C=C=C=C=C=C)C(=C=C=C=C=C=C=C)C(C)C.C=CCC(C)(C)C.C=CCOC(=O)C(C)C.CC(=O)C(C)C.CC(C)(C)Cc1ccccc1.CC(C)C.CC(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)C(=O)OCc1ccccc1.CC(C)CC(C)C.CC(C)CCCCOC(=O)C(C)C.CC(C)COC(=O)C(C)C.CC(C)C[Si](C)(C)C(C)C.CC(C)Cc1ccc(CO)cc1.CCC(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H14.C18H18O2.C11H14O2.C11H22O2.C11H16O.C11H16.C9H22Si.C8H16O2.C7H12O2.C7H16.C7H14.C5H10O.C5H12.C4H10.6H2/c1-6-9-12-15-18-20-23-27(24-21-19-16-13-10-7-2)28(26(4)5)25-22-17-14-11-8-3;1-12(2)18(19)20-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-9(2)7-5-6-8-13-11(12)10(3)4;1-9(2)7-10-3-5-11(8-12)6-4-10;1-11(2,3)9-10-7-5-4-6-8-10;1-8(2)7-10(5,6)9(3)4;1-6(2)5-10-8(9)7(3)4;1-4-5-9-7(8)6(2)3;1-6(2)5-7(3)4;1-5-6-7(2,3)4;1-4(2)5(3)6;1-4-5(2)3;1-4(2)3;;;;;;/h23,26H,1-3H2,4-5H3;3-10,12,17H,11H2,1-2H3;3-7,9H,8H2,1-2H3;9-10H,5-8H2,1-4H3;3-6,9,12H,7-8H2,1-2H3;4-8H,9H2,1-3H3;8-9H,7H2,1-6H3;6-7H,5H2,1-4H3;4,6H,1,5H2,2-3H3;6-7H,5H2,1-4H3;5H,1,6H2,2-4H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;6*1H
• InChIKey: QUNYREOLJIQZSP-UHFFFAOYSA-N
• XLogP: 39.63
• TPSA: 168.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 33
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2151.43
LogP ≤ 5	39.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C=C=C=C=C=C=C=C(C=C=C=C=C=C=C=C)C(=C=C=C=C=C=C=C)C(C)C.C=CCC(C)(C)C.C=CCOC(=O)C(C)C.CC(=O)C(C)C.CC(C)(C)Cc1ccccc1.CC(C)C.CC(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)C(=O)OCc1ccccc1.CC(C)CC(C)C.CC(C)CCCCOC(=O)C(C)C.CC(C)COC(=O)C(C)C.CC(C)C[Si](C)(C)C(C)C.CC(C)Cc1ccc(CO)cc1.CCC(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 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?

The InChIKey is QUNYREOLJIQZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14.C18H18O2.C11H14O2.C11H22O2.C11H16O.C11H16.C9H22Si.C8H16O2.C7H12O2.C7H16.C7H14.C5H10O.C5H12.C4H10.6H2/c1-6-9-12-15-18-20-23-27(24-21-19-16-13-10-7-2)28(26(4)5)25-22-17-14-11-8-3;1-12(2)18(19)20-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-9(2)7-5-6-8-13-11(12)10(3)4;1-9(2)7-10-3-5-11(8-12)6-4-10;1-11(2,3)9-10-7-5-4-6-8-10;1-8(2)7-10(5,6)9(3)4;1-6(2)5-10-8(9)7(3)4;1-4-5-9-7(8)6(2)3;1-6(2)5-7(3)4;1-5-6-7(2,3)4;1-4(2)5(3)6;1-4-5(2)3;1-4(2)3;;;;;;/h23,26H,1-3H2,4-5H3;3-10,12,17H,11H2,1-2H3;3-7,9H,8H2,1-2H3;9-10H,5-8H2,1-4H3;3-6,9,12H,7-8H2,1-2H3;4-8H,9H2,1-3H3;8-9H,7H2,1-6H3;6-7H,5H2,1-4H3;4,6H,1,5H2,2-3H3;6-7H,5H2,1-4H3;5H,1,6H2,2-4H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;6*1H.

What are the key properties of 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?

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 has a molecular weight of 2151.43 g/mol, XLogP of 39.63, 33 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160523205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).