1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene

C178H254O28 — CID 158577829

IUPAC1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)C(C)(C)c1ccc2ccccc2c1.C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1(CC)CCCCCCC1.C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1CCOC1=O.C=C(C)C(=O)OC1COC(=O)C1.C=C(C)C(C)=O.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccccc1
InChIInChI=1S/C17H26O2.C17H18O.C16H24O2.C15H22O2.C14H20O2.C14H24O2.C13H16O2.C12H20O2.C12H16.C11H18O2.2C8H10O4.C8H14O2.C8H8.C5H8O/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-12(2)16(18)17(3,4)15-10-9-13-7-5-6-8-14(13)11-15;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-5-10-6-8-11(9-7-10)12(2,3)4;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-5(2)8(10)12-6-3-7(9)11-4-6;1-5(2)7(9)12-6-3-4-11-8(6)10;1-6(2)7(9)10-8(3,4)5;1-2-8-6-4-3-5-7-8;1-4(2)5(3)6/h12-14H,1,5-10H2,2-4H3;5-11H,1H2,2-4H3;11-14H,2,4-9H2,1,3H3;10-13H,1,4-8H2,2-3H3;10-12H,1,3-8H2,2H3;2,4-11H2,1,3H3;5-9H,1H2,2-4H3;2,4-9H2,1,3H3;5-9H,1H2,2-4H3;2,4-8H2,1,3H3;2*6H,1,3-4H2,2H3;1H2,2-5H3;2-7H,1H2;1H2,2-3H3
InChIKeyHSWMLOJYTSPPGK-UHFFFAOYSA-N
MW2841.96 g/mol
LogP41.41
Rot. Bonds33

About 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene

1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene (PubChem CID 158577829) has the molecular formula C178H254O28 and a molecular weight of 2841.96 g/mol. Its IUPAC name is 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene.

Molecular Properties

Compound Name1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene
PubChem CID158577829
Molecular FormulaC178H254O28
Molecular Weight2841.96 g/mol
Exact Mass2839.85
IUPAC Name1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)C(C)(C)c1ccc2ccccc2c1.C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1(CC)CCCCCCC1.C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1CCOC1=O.C=C(C)C(=O)OC1COC(=O)C1.C=C(C)C(C)=O.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccccc1
InChIInChI=1S/C17H26O2.C17H18O.C16H24O2.C15H22O2.C14H20O2.C14H24O2.C13H16O2.C12H20O2.C12H16.C11H18O2.2C8H10O4.C8H14O2.C8H8.C5H8O/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-12(2)16(18)17(3,4)15-10-9-13-7-5-6-8-14(13)11-15;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-5-10-6-8-11(9-7-10)12(2,3)4;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-5(2)8(10)12-6-3-7(9)11-4-6;1-5(2)7(9)12-6-3-4-11-8(6)10;1-6(2)7(9)10-8(3,4)5;1-2-8-6-4-3-5-7-8;1-4(2)5(3)6/h12-14H,1,5-10H2,2-4H3;5-11H,1H2,2-4H3;11-14H,2,4-9H2,1,3H3;10-13H,1,4-8H2,2-3H3;10-12H,1,3-8H2,2H3;2,4-11H2,1,3H3;5-9H,1H2,2-4H3;2,4-9H2,1,3H3;5-9H,1H2,2-4H3;2,4-8H2,1,3H3;2*6H,1,3-4H2,2H3;1H2,2-5H3;2-7H,1H2;1H2,2-3H3
InChIKeyHSWMLOJYTSPPGK-UHFFFAOYSA-N
XLogP41.41
TPSA376.04 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002841.96
LogP ≤ 541.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene with MolForge

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Related Compounds

2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;tert-butyl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-methyl-2-(3-methylbuta-1,3-dien-2-yloxy)adamantane;2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate
CID 157149999
2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate
CID 160783432
2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate
CID 162118755
bicyclo[2.2.1]hept-2-ene;[2-(cyanomethyl)-2-adamantyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;furan-2,5-dione;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 160881307
2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 161456598
2-(1-adamantyl)butan-2-yl 2-methylprop-2-enoate;2-adamantyloxymethyl 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 159468746
tris(4-butan-2-ylphenol);(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);(1-phenylcyclopentyl) 2,2-dimethylbutanoate
CID 160538290
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;tris((4-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate
CID 157224183
[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 159487622
3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
CID 160650551
(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
CID 158237074
tert-butyl 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-phenylcyclohexyl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 167701423

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene?
The IUPAC name of 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene (CID 158577829) is 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene.
What is the SMILES notation for 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene?
The canonical SMILES for 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene is C=C(C)C(=O)C(C)(C)c1ccc2ccccc2c1.C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1(CC)CCCCCCC1.C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1CCOC1=O.C=C(C)C(=O)OC1COC(=O)C1.C=C(C)C(C)=O.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccccc1.
What is the InChIKey of 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene?
The InChIKey is HSWMLOJYTSPPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C17H18O.C16H24O2.C15H22O2.C14H20O2.C14H24O2.C13H16O2.C12H20O2.C12H16.C11H18O2.2C8H10O4.C8H14O2.C8H8.C5H8O/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;1-12(2)16(18)17(3,4)15-10-9-13-7-5-6-8-14(13)11-15;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-5-10-6-8-11(9-7-10)12(2,3)4;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-5(2)8(10)12-6-3-7(9)11-4-6;1-5(2)7(9)12-6-3-4-11-8(6)10;1-6(2)7(9)10-8(3,4)5;1-2-8-6-4-3-5-7-8;1-4(2)5(3)6/h12-14H,1,5-10H2,2-4H3;5-11H,1H2,2-4H3;11-14H,2,4-9H2,1,3H3;10-13H,1,4-8H2,2-3H3;10-12H,1,3-8H2,2H3;2,4-11H2,1,3H3;5-9H,1H2,2-4H3;2,4-9H2,1,3H3;5-9H,1H2,2-4H3;2,4-8H2,1,3H3;2*6H,1,3-4H2,2H3;1H2,2-5H3;2-7H,1H2;1H2,2-3H3.
What are the key properties of 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene?
1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene has a molecular weight of 2841.96 g/mol, XLogP of 41.41, 33 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl 2-methylprop-2-enoate;2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate;1-tert-butyl-4-ethenylbenzene;tert-butyl 2-methylprop-2-enoate;2,4-dimethyl-4-naphthalen-2-ylpent-1-en-3-one;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(2-methyl-2-adamantyl) 2-methylprop-2-enoate;3-methylbut-3-en-2-one;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;(5-oxooxolan-3-yl) 2-methylprop-2-enoate;2-phenylpropan-2-yl 2-methylprop-2-enoate;styrene is sourced from PubChem (CID 158577829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).