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

C144H230O15Si — CID 158341338

IUPACbenzyl 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
SMILESC.C.C.C=CCC(C)C.C=CCOC(=O)C(C)C.CC.CC(=O)C(C)C.CC(C)C.CC(C)C.CC(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)C(=O)OCc1ccccc1.CC(C)COC(=O)C(C)C.CC(C)C[Si](C)(C)C.CC(C)Cc1ccc(CO)cc1.CC(C)Cc1ccccc1.CCC(C)C.CCC(C)C.COc1ccc(C)cc1.Cc1ccccc1.O=COCC1c2ccccc2-c2ccccc21.O=COCc1ccccc1
InChIInChI=1S/C18H18O2.C15H12O2.C11H14O2.C11H16O.C10H14.C8H8O2.C8H16O2.C8H10O.C7H12O2.C7H18Si.C7H8.C6H12.C5H10O.2C5H12.2C4H10.C2H6.3CH4/c1-12(2)18(19)20-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;16-10-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-9(2)7-10-3-5-11(8-12)6-4-10;1-9(2)8-10-6-4-3-5-7-10;9-7-10-6-8-4-2-1-3-5-8;1-6(2)5-10-8(9)7(3)4;1-7-3-5-8(9-2)6-4-7;1-4-5-9-7(8)6(2)3;1-7(2)6-8(3,4)5;1-7-5-3-2-4-6-7;1-4-5-6(2)3;1-4(2)5(3)6;2*1-4-5(2)3;2*1-4(2)3;1-2;;;/h3-10,12,17H,11H2,1-2H3;1-8,10,15H,9H2;3-7,9H,8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-7,9H,8H2,1-2H3;1-5,7H,6H2;6-7H,5H2,1-4H3;3-6H,1-2H3;4,6H,1,5H2,2-3H3;7H,6H2,1-5H3;2-6H,1H3;4,6H,1,5H2,2-3H3;4H,1-3H3;2*5H,4H2,1-3H3;2*4H,1-3H3;1-2H3;3*1H4
InChIKeyGREUOUUKVYBFHW-UHFFFAOYSA-N
MW2229.49 g/mol
LogP39.98
Rot. Bonds31

About 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

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 (PubChem CID 158341338) has the molecular formula C144H230O15Si and a molecular weight of 2229.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID158341338
Molecular FormulaC144H230O15Si
Molecular Weight2229.49 g/mol
Exact Mass2227.70
IUPAC Namebenzyl 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
SMILESC.C.C.C=CCC(C)C.C=CCOC(=O)C(C)C.CC.CC(=O)C(C)C.CC(C)C.CC(C)C.CC(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)C(=O)OCc1ccccc1.CC(C)COC(=O)C(C)C.CC(C)C[Si](C)(C)C.CC(C)Cc1ccc(CO)cc1.CC(C)Cc1ccccc1.CCC(C)C.CCC(C)C.COc1ccc(C)cc1.Cc1ccccc1.O=COCC1c2ccccc2-c2ccccc21.O=COCc1ccccc1
InChIInChI=1S/C18H18O2.C15H12O2.C11H14O2.C11H16O.C10H14.C8H8O2.C8H16O2.C8H10O.C7H12O2.C7H18Si.C7H8.C6H12.C5H10O.2C5H12.2C4H10.C2H6.3CH4/c1-12(2)18(19)20-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;16-10-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-9(2)7-10-3-5-11(8-12)6-4-10;1-9(2)8-10-6-4-3-5-7-10;9-7-10-6-8-4-2-1-3-5-8;1-6(2)5-10-8(9)7(3)4;1-7-3-5-8(9-2)6-4-7;1-4-5-9-7(8)6(2)3;1-7(2)6-8(3,4)5;1-7-5-3-2-4-6-7;1-4-5-6(2)3;1-4(2)5(3)6;2*1-4-5(2)3;2*1-4(2)3;1-2;;;/h3-10,12,17H,11H2,1-2H3;1-8,10,15H,9H2;3-7,9H,8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-7,9H,8H2,1-2H3;1-5,7H,6H2;6-7H,5H2,1-4H3;3-6H,1-2H3;4,6H,1,5H2,2-3H3;7H,6H2,1-5H3;2-6H,1H3;4,6H,1,5H2,2-3H3;4H,1-3H3;2*5H,4H2,1-3H3;2*4H,1-3H3;1-2H3;3*1H4
InChIKeyGREUOUUKVYBFHW-UHFFFAOYSA-N
XLogP39.98
TPSA204.33 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002229.49
LogP ≤ 539.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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 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-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 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 acetate;ethane;ethylbenzene;(4-ethylphenyl)methanol;9H-fluoren-9-ylmethyl acetate;9H-fluoren-9-ylmethyl formate;2-methylbutane;5-methylhexyl acetate;2-methylpropyl acetate;pent-1-ene;propane;propan-2-one;prop-2-enyl acetate;trimethyl(2-methylpropyl)silane
CID 158396195
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
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 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
[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl 2-methylpropanoate;1-methoxy-4-(2-methylpropyl)benzene
CID 176666843
ethane;ethylbenzene;(4-ethylphenyl)methanol;9H-fluoren-9-ylmethyl acetate;2-methylbutane;5-methylhexyl acetate;2-methylpropyl acetate;pent-1-ene;4-phenylbutan-2-one;propane;propan-2-one;prop-2-enyl acetate;trimethyl(2-methylpropyl)silane
CID 159350850
benzyl acetate;benzyl formate;tert-butyl acetate;tert-butyl(dimethyl)silane;tert-butyl formate;2-tert-butylsilylethyl acetate;tert-butyl(trimethyl)silane;2,2-dimethylpropane;1,1-diphenylethylbenzene;ethane;ethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate;9H-fluoren-9-ylmethyl formate;methane;pent-1-ene;propane;propan-2-one;prop-2-enyl acetate;toluene
CID 158846636
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C=CCC(C)C.C=CCOC(=O)C(C)C.CC.CC(=O)C(C)C.CC(C)C.CC(C)C.CC(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)C(=O)OCc1ccccc1.CC(C)COC(=O)C(C)C.CC(C)C[Si](C)(C)C.CC(C)Cc1ccc(CO)cc1.CC(C)Cc1ccccc1.CCC(C)C.CCC(C)C.COc1ccc(C)cc1.Cc1ccccc1.O=COCC1c2ccccc2-c2ccccc21.O=COCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is GREUOUUKVYBFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2.C15H12O2.C11H14O2.C11H16O.C10H14.C8H8O2.C8H16O2.C8H10O.C7H12O2.C7H18Si.C7H8.C6H12.C5H10O.2C5H12.2C4H10.C2H6.3CH4/c1-12(2)18(19)20-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;16-10-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-9(2)7-10-3-5-11(8-12)6-4-10;1-9(2)8-10-6-4-3-5-7-10;9-7-10-6-8-4-2-1-3-5-8;1-6(2)5-10-8(9)7(3)4;1-7-3-5-8(9-2)6-4-7;1-4-5-9-7(8)6(2)3;1-7(2)6-8(3,4)5;1-7-5-3-2-4-6-7;1-4-5-6(2)3;1-4(2)5(3)6;2*1-4-5(2)3;2*1-4(2)3;1-2;;;/h3-10,12,17H,11H2,1-2H3;1-8,10,15H,9H2;3-7,9H,8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-7,9H,8H2,1-2H3;1-5,7H,6H2;6-7H,5H2,1-4H3;3-6H,1-2H3;4,6H,1,5H2,2-3H3;7H,6H2,1-5H3;2-6H,1H3;4,6H,1,5H2,2-3H3;4H,1-3H3;2*5H,4H2,1-3H3;2*4H,1-3H3;1-2H3;3*1H4.
What are the key properties of 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?
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 has a molecular weight of 2229.49 g/mol, XLogP of 39.98, 31 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158341338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).