[3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate

C103H150O23 — CID 157223693

IUPAC[3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC1C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC(C)OC1CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)OC(C)OC1CC2CCC1C2.C=C(C)C(=O)OCCC(=O)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OCCOC(=O)CCC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCCOC(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30O6.C18H26O5.C18H26O3.C17H24O3.C16H24O3.C13H20O3/c1-13(2)20(24)26-7-6-25-18(22)4-5-19(23)27-21(3)16-9-14-8-15(11-16)12-17(21)10-14;1-11(2)16(19)21-4-5-22-17(20)23-18(3)14-7-12-6-13(9-14)10-15(18)8-12;1-9(2)18(19)21-10(3)20-15-8-13-7-14(15)17-12-5-4-11(6-12)16(13)17;1-11(2)16(19)20-4-3-15(18)17-8-12-5-13(9-17)7-14(6-12)10-17;1-9(2)16(17)19-10(3)18-15-13-5-11-4-12(7-13)8-14(15)6-11;1-8(2)13(14)16-9(3)15-12-7-10-4-5-11(12)6-10/h14-17H,1,4-12H2,2-3H3;12-15H,1,4-10H2,2-3H3;10-17H,1,4-8H2,2-3H3;12-14H,1,3-10H2,2H3;10-15H,1,4-8H2,2-3H3;9-12H,1,4-7H2,2-3H3
InChIKeyATHHFYPKKQKSKY-UHFFFAOYSA-N
MW1756.31 g/mol
LogP19.43
Rot. Bonds30

About [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate

[3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 157223693) has the molecular formula C103H150O23 and a molecular weight of 1756.31 g/mol. Its IUPAC name is [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate
PubChem CID157223693
Molecular FormulaC103H150O23
Molecular Weight1756.31 g/mol
Exact Mass1755.06
IUPAC Name[3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC1C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC(C)OC1CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)OC(C)OC1CC2CCC1C2.C=C(C)C(=O)OCCC(=O)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OCCOC(=O)CCC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCCOC(=O)OC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30O6.C18H26O5.C18H26O3.C17H24O3.C16H24O3.C13H20O3/c1-13(2)20(24)26-7-6-25-18(22)4-5-19(23)27-21(3)16-9-14-8-15(11-16)12-17(21)10-14;1-11(2)16(19)21-4-5-22-17(20)23-18(3)14-7-12-6-13(9-14)10-15(18)8-12;1-9(2)18(19)21-10(3)20-15-8-13-7-14(15)17-12-5-4-11(6-12)16(13)17;1-11(2)16(19)20-4-3-15(18)17-8-12-5-13(9-17)7-14(6-12)10-17;1-9(2)16(17)19-10(3)18-15-13-5-11-4-12(7-13)8-14(15)6-11;1-8(2)13(14)16-9(3)15-12-7-10-4-5-11(12)6-10/h14-17H,1,4-12H2,2-3H3;12-15H,1,4-10H2,2-3H3;10-17H,1,4-8H2,2-3H3;12-14H,1,3-10H2,2H3;10-15H,1,4-8H2,2-3H3;9-12H,1,4-7H2,2-3H3
InChIKeyATHHFYPKKQKSKY-UHFFFAOYSA-N
XLogP19.43
TPSA290.69 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001756.31
LogP ≤ 519.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate (CID 157223693) is [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC1C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC(C)OC1CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)OC(C)OC1CC2CCC1C2.C=C(C)C(=O)OCCC(=O)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OCCOC(=O)CCC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCCOC(=O)OC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is ATHHFYPKKQKSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O6.C18H26O5.C18H26O3.C17H24O3.C16H24O3.C13H20O3/c1-13(2)20(24)26-7-6-25-18(22)4-5-19(23)27-21(3)16-9-14-8-15(11-16)12-17(21)10-14;1-11(2)16(19)21-4-5-22-17(20)23-18(3)14-7-12-6-13(9-14)10-15(18)8-12;1-9(2)18(19)21-10(3)20-15-8-13-7-14(15)17-12-5-4-11(6-12)16(13)17;1-11(2)16(19)20-4-3-15(18)17-8-12-5-13(9-17)7-14(6-12)10-17;1-9(2)16(17)19-10(3)18-15-13-5-11-4-12(7-13)8-14(15)6-11;1-8(2)13(14)16-9(3)15-12-7-10-4-5-11(12)6-10/h14-17H,1,4-12H2,2-3H3;12-15H,1,4-10H2,2-3H3;10-17H,1,4-8H2,2-3H3;12-14H,1,3-10H2,2H3;10-15H,1,4-8H2,2-3H3;9-12H,1,4-7H2,2-3H3.
What are the key properties of [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate?
[3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 1756.31 g/mol, XLogP of 19.43, 30 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-adamantyl)-3-oxopropyl] 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;4-O-(2-methyl-2-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;2-[(2-methyl-2-adamantyl)oxycarbonyloxy]ethyl 2-methylprop-2-enoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 157223693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).